CID 170915271

(1r,2s,5s,6r)-2-aminobicyclo[3.1.0]hexane-6-carboxylic acid hydrochloride

Structural Information

Molecular Formula
C7H11NO2
SMILES
C1C[C@@H]([C@@H]2[C@H]1[C@H]2C(=O)O)N
InChI
InChI=1S/C7H11NO2/c8-4-2-1-3-5(4)6(3)7(9)10/h3-6H,1-2,8H2,(H,9,10)/t3-,4-,5-,6+/m0/s1
InChIKey
BMSACDGIWRRFKP-OMMKOOBNSA-N
Compound name
(1R,2S,5S,6R)-2-aminobicyclo[3.1.0]hexane-6-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

141.07898 Da
Monoisotopic Mass

-2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 142.08626 125.7
[M+Na]+ 164.06820 135.4
[M-H]- 140.07170 129.6
[M+NH4]+ 159.11280 144.2
[M+K]+ 180.04214 131.8
[M+H-H2O]+ 124.07624 121.3
[M+HCOO]- 186.07718 146.8
[M+CH3COO]- 200.09283 177.7
[M+Na-2H]- 162.05365 129.4
[M]+ 141.07843 125.5
[M]- 141.07953 125.5
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.