CID 224366

2-amino-2-cyclopentylacetic acid

Structural Information

Molecular Formula
C7H13NO2
SMILES
C1CCC(C1)C(C(=O)O)N
InChI
InChI=1S/C7H13NO2/c8-6(7(9)10)5-3-1-2-4-5/h5-6H,1-4,8H2,(H,9,10)
InChIKey
XBPKRVHTESHFAA-UHFFFAOYSA-N
Compound name
2-amino-2-cyclopentylacetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

2015
Patents

143.09464 Da
Monoisotopic Mass

-1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 144.101916 132.4
[M+Na]+ 166.083858 136.8
[M-H]- 142.087364 133.5
[M+NH4]+ 161.128463 153.8
[M+K]+ 182.057798 136.0
[M+H-H2O]+ 126.091900 127.0
[M+HCOO]- 188.092841 152.8
[M+CH3COO]- 202.108491 172.5
[M+Na-2H]- 164.069306 133.5
[M]+ 143.09409142 126.4
[M]- 143.09518858 126.4
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