CID 175855228

Schembl30241599

Structural Information

Molecular Formula
C12H21NO3
SMILES
CC1([C@H]2[C@@H]1CN(C2)C(=O)OC(C)(C)C)CO
InChI
InChI=1S/C12H21NO3/c1-11(2,3)16-10(15)13-5-8-9(6-13)12(8,4)7-14/h8-9,14H,5-7H2,1-4H3/t8-,9+,12?
InChIKey
FQRBTWQPAQGUGY-USUYBEQLSA-N
Compound name
tert-butyl (1S,5R)-6-(hydroxymethyl)-6-methyl-3-azabicyclo[3.1.0]hexane-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

227.15215 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 228.15943 156.7
[M+Na]+ 250.14137 166.3
[M-H]- 226.14487 159.5
[M+NH4]+ 245.18597 173.5
[M+K]+ 266.11531 163.6
[M+H-H2O]+ 210.14941 153.0
[M+HCOO]- 272.15035 172.9
[M+CH3COO]- 286.16600 190.5
[M+Na-2H]- 248.12682 160.1
[M]+ 227.15160 161.6
[M]- 227.15270 161.6
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

patents stripe