CID 125511684

2307733-71-5

Structural Information

Molecular Formula
C7H11NO2
SMILES
C1[C@H]2C[C@]2(C[C@@H]1N)C(=O)O
InChI
InChI=1S/C7H11NO2/c8-5-1-4-2-7(4,3-5)6(9)10/h4-5H,1-3,8H2,(H,9,10)/t4-,5+,7+/m0/s1
InChIKey
RGJTZVOPFAIPNJ-HBPOCXIASA-N
Compound name
(1R,3R,5R)-3-aminobicyclo[3.1.0]hexane-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

141.07898 Da
Monoisotopic Mass

-2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 142.08626 126.9
[M+Na]+ 164.06820 136.5
[M-H]- 140.07170 130.8
[M+NH4]+ 159.11280 147.1
[M+K]+ 180.04214 133.8
[M+H-H2O]+ 124.07624 123.5
[M+HCOO]- 186.07718 147.7
[M+CH3COO]- 200.09283 176.1
[M+Na-2H]- 162.05365 132.3
[M]+ 141.07843 126.8
[M]- 141.07953 126.8
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

No patent data available for this compound.