CID 170918800

2955709-29-0

Structural Information

Molecular Formula
C13H24N2O4
SMILES
CC(C)(C)OC(=O)N1CC2(CC1(CO2)COC)CN
InChI
InChI=1S/C13H24N2O4/c1-11(2,3)19-10(16)15-7-13(6-14)5-12(15,8-17-4)9-18-13/h5-9,14H2,1-4H3
InChIKey
VXMYEBCWWRTHER-UHFFFAOYSA-N
Compound name
tert-butyl 1-(aminomethyl)-4-(methoxymethyl)-2-oxa-5-azabicyclo[2.2.1]heptane-5-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

272.1736 Da
Monoisotopic Mass

-0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 273.18088 163.2
[M+Na]+ 295.16282 169.6
[M-H]- 271.16632 164.6
[M+NH4]+ 290.20742 185.6
[M+K]+ 311.13676 170.1
[M+H-H2O]+ 255.17086 160.0
[M+HCOO]- 317.17180 179.7
[M+CH3COO]- 331.18745 197.3
[M+Na-2H]- 293.14827 168.4
[M]+ 272.17305 166.7
[M]- 272.17415 166.7
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.