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]+ 156.10192 126.2
[M+Na]+ 178.08386 132.0
[M-H]- 154.08736 128.3
[M+NH4]+ 173.12846 139.6
[M+K]+ 194.05780 132.9
[M+H-H2O]+ 138.09190 120.8
[M+HCOO]- 200.09284 141.8
[M+CH3COO]- 214.10849 178.0
[M+Na-2H]- 176.06931 131.3
[M]+ 155.09409 121.4
[M]- 155.09519 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.