CID 96635156

2460739-53-9

Structural Information

Molecular Formula
C8H13NO2
SMILES
C1CNCC[C@H]2[C@@H]1C2C(=O)O
InChI
InChI=1S/C8H13NO2/c10-8(11)7-5-1-3-9-4-2-6(5)7/h5-7,9H,1-4H2,(H,10,11)/t5-,6+,7?
InChIKey
ZSWXRKLJXQWMII-MEKDEQNOSA-N
Compound name
(1R,7S)-4-azabicyclo[5.1.0]octane-8-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

155.09464 Da
Monoisotopic Mass

-2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 156.101916 126.2
[M+Na]+ 178.083858 132.0
[M-H]- 154.087364 128.3
[M+NH4]+ 173.128463 139.6
[M+K]+ 194.057798 132.9
[M+H-H2O]+ 138.091900 120.8
[M+HCOO]- 200.092841 141.8
[M+CH3COO]- 214.108491 178.0
[M+Na-2H]- 176.069306 131.3
[M]+ 155.09409142 121.4
[M]- 155.09518858 121.4
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.