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]+ 142.086256 125.7
[M+Na]+ 164.068198 135.4
[M-H]- 140.071704 129.6
[M+NH4]+ 159.112803 144.2
[M+K]+ 180.042138 131.8
[M+H-H2O]+ 124.076240 121.3
[M+HCOO]- 186.077181 146.8
[M+CH3COO]- 200.092831 177.7
[M+Na-2H]- 162.053646 129.4
[M]+ 141.07843142 125.5
[M]- 141.07952858 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.