CID 9898895

2-[1-(aminomethyl)cyclopentyl]acetic acid hydrochloride

Structural Information

Molecular Formula
C8H15NO2
SMILES
C1CCC(C1)(CC(=O)O)CN
InChI
InChI=1S/C8H15NO2/c9-6-8(5-7(10)11)3-1-2-4-8/h1-6,9H2,(H,10,11)
InChIKey
MKGSCDBHUPQQMX-UHFFFAOYSA-N
Compound name
2-[1-(aminomethyl)cyclopentyl]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

221
Patents

157.11028 Da
Monoisotopic Mass

-1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 158.117556 135.6
[M+Na]+ 180.099498 140.8
[M-H]- 156.103004 136.8
[M+NH4]+ 175.144103 158.6
[M+K]+ 196.073438 139.4
[M+H-H2O]+ 140.107540 131.1
[M+HCOO]- 202.108481 156.7
[M+CH3COO]- 216.124131 174.2
[M+Na-2H]- 178.084946 138.8
[M]+ 157.10973142 131.0
[M]- 157.11082858 131.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe