CID 16730047

1-(aminomethyl)cyclopentanecarboxylic acid

Structural Information

Molecular Formula
C7H13NO2
SMILES
C1CCC(C1)(CN)C(=O)O
InChI
InChI=1S/C7H13NO2/c8-5-7(6(9)10)3-1-2-4-7/h1-5,8H2,(H,9,10)
InChIKey
VZQSZPCSJJSCDJ-UHFFFAOYSA-N
Compound name
1-(aminomethyl)cyclopentane-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

96
Patents

143.09464 Da
Monoisotopic Mass

-2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 144.10192 131.1
[M+Na]+ 166.08386 136.7
[M-H]- 142.08736 132.5
[M+NH4]+ 161.12846 154.7
[M+K]+ 182.05780 135.6
[M+H-H2O]+ 126.09190 126.8
[M+HCOO]- 188.09284 152.5
[M+CH3COO]- 202.10849 171.2
[M+Na-2H]- 164.06931 134.8
[M]+ 143.09409 126.2
[M]- 143.09519 126.2
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

patents stripe