CID 82418118

3-azabicyclo[4.1.0]heptane-7-carboxylic acid hydrochloride

Structural Information

Molecular Formula
C7H11NO2
SMILES
C1CNCC2C1C2C(=O)O
InChI
InChI=1S/C7H11NO2/c9-7(10)6-4-1-2-8-3-5(4)6/h4-6,8H,1-3H2,(H,9,10)
InChIKey
ACLOABGXXHOMFW-UHFFFAOYSA-N
Compound name
3-azabicyclo[4.1.0]heptane-7-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

141.07898 Da
Monoisotopic Mass

-2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 142.086256 131.5
[M+Na]+ 164.068198 139.9
[M-H]- 140.071704 132.6
[M+NH4]+ 159.112803 146.6
[M+K]+ 180.042138 136.3
[M+H-H2O]+ 124.076240 125.8
[M+HCOO]- 186.077181 147.8
[M+CH3COO]- 200.092831 172.9
[M+Na-2H]- 162.053646 136.8
[M]+ 141.07843142 129.2
[M]- 141.07952858 129.2
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.