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

105
Patents

143.09464 Da
Monoisotopic Mass

-2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 144.101916 131.1
[M+Na]+ 166.083858 136.7
[M-H]- 142.087364 132.5
[M+NH4]+ 161.128463 154.7
[M+K]+ 182.057798 135.6
[M+H-H2O]+ 126.091900 126.8
[M+HCOO]- 188.092841 152.5
[M+CH3COO]- 202.108491 171.2
[M+Na-2H]- 164.069306 134.8
[M]+ 143.09409142 126.2
[M]- 143.09518858 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