CID 146097166

Rac-tert-butyl (2r,4as,7ar)-2-(aminomethyl)-hexahydro-2h-furo[3,4-b][1,4]oxazine-4-carboxylate hydrochloride

Structural Information

Molecular Formula
C12H22N2O4
SMILES
CC(C)(C)OC(=O)N1C[C@H](O[C@@H]2[C@@H]1COC2)CN
InChI
InChI=1S/C12H22N2O4/c1-12(2,3)18-11(15)14-5-8(4-13)17-10-7-16-6-9(10)14/h8-10H,4-7,13H2,1-3H3/t8-,9+,10+/m1/s1
InChIKey
INLCADMXVCETIU-UTLUCORTSA-N
Compound name
tert-butyl (2R,4aS,7aR)-2-(aminomethyl)-2,3,4a,5,7,7a-hexahydrofuro[3,4-b][1,4]oxazine-4-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

258.15796 Da
Monoisotopic Mass

-0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 259.16524 161.3
[M+Na]+ 281.14718 166.1
[M-H]- 257.15068 164.3
[M+NH4]+ 276.19178 176.6
[M+K]+ 297.12112 167.4
[M+H-H2O]+ 241.15522 155.6
[M+HCOO]- 303.15616 175.3
[M+CH3COO]- 317.17181 195.7
[M+Na-2H]- 279.13263 164.3
[M]+ 258.15741 160.6
[M]- 258.15851 160.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.