CID 11160507

194222-05-4

Structural Information

Molecular Formula
C12H21NO3
SMILES
CC(C)(C)OC(=O)N1[C@@H]2CC[C@H]1CC(C2)O
InChI
InChI=1S/C12H21NO3/c1-12(2,3)16-11(15)13-8-4-5-9(13)7-10(14)6-8/h8-10,14H,4-7H2,1-3H3/t8-,9+,10?
InChIKey
SEGZJJSZYOEABC-ULKQDVFKSA-N
Compound name
tert-butyl (1R,5S)-3-hydroxy-8-azabicyclo[3.2.1]octane-8-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

815
Patents

227.15215 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 228.15943 155.2
[M+Na]+ 250.14137 160.8
[M-H]- 226.14487 154.9
[M+NH4]+ 245.18597 175.2
[M+K]+ 266.11531 159.4
[M+H-H2O]+ 210.14941 150.6
[M+HCOO]- 272.15035 168.8
[M+CH3COO]- 286.16600 187.3
[M+Na-2H]- 248.12682 157.6
[M]+ 227.15160 153.7
[M]- 227.15270 153.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe