CID 82418118

2094939-78-1

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

5
Patents

141.07898 Da
Monoisotopic Mass

-2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 142.08626 131.5
[M+Na]+ 164.06820 139.9
[M-H]- 140.07170 132.6
[M+NH4]+ 159.11280 146.6
[M+K]+ 180.04214 136.3
[M+H-H2O]+ 124.07624 125.8
[M+HCOO]- 186.07718 147.8
[M+CH3COO]- 200.09283 172.9
[M+Na-2H]- 162.05365 136.8
[M]+ 141.07843 129.2
[M]- 141.07953 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.