CID 97777002

1251021-54-1

Structural Information

Molecular Formula
C12H22N2O3
SMILES
CC(C)(C)OC(=O)N1CC[C@@H]2[C@@H](C1)OCCN2
InChI
InChI=1S/C12H22N2O3/c1-12(2,3)17-11(15)14-6-4-9-10(8-14)16-7-5-13-9/h9-10,13H,4-8H2,1-3H3/t9-,10-/m1/s1
InChIKey
COJUSTWUQICURS-NXEZZACHSA-N
Compound name
tert-butyl (4aR,8aR)-1,2,3,4a,5,7,8,8a-octahydropyrido[3,4-b][1,4]oxazine-6-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

242.16304 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 243.170316 158.8
[M+Na]+ 265.152258 162.3
[M-H]- 241.155764 158.2
[M+NH4]+ 260.196863 172.4
[M+K]+ 281.126198 161.7
[M+H-H2O]+ 225.160300 151.5
[M+HCOO]- 287.161241 168.1
[M+CH3COO]- 301.176891 188.3
[M+Na-2H]- 263.137706 162.8
[M]+ 242.16249142 153.8
[M]- 242.16358858 153.8
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

patents stripe