CID 165664425

2792200-64-5

Structural Information

Molecular Formula
C7H11NO2
SMILES
C1C2CC1NCC2C(=O)O
InChI
InChI=1S/C7H11NO2/c9-7(10)6-3-8-5-1-4(6)2-5/h4-6,8H,1-3H2,(H,9,10)
InChIKey
AXPAHAQPCPDNQR-UHFFFAOYSA-N
Compound name
2-azabicyclo[3.1.1]heptane-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

141.07898 Da
Monoisotopic Mass

-2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 142.08626 136.9
[M+Na]+ 164.06820 141.0
[M-H]- 140.07170 132.0
[M+NH4]+ 159.11280 153.4
[M+K]+ 180.04214 142.4
[M+H-H2O]+ 124.07624 128.2
[M+HCOO]- 186.07718 146.6
[M+CH3COO]- 200.09283 177.1
[M+Na-2H]- 162.05365 145.7
[M]+ 141.07843 144.5
[M]- 141.07953 144.5
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.