CID 4962582

1-[(cyclopropylcarbamoyl)methyl]cyclopentane-1-carboxylic acid

Structural Information

Molecular Formula
C11H17NO3
SMILES
C1CCC(C1)(CC(=O)NC2CC2)C(=O)O
InChI
InChI=1S/C11H17NO3/c13-9(12-8-3-4-8)7-11(10(14)15)5-1-2-6-11/h8H,1-7H2,(H,12,13)(H,14,15)
InChIKey
OTGXRCJLUXOFHD-UHFFFAOYSA-N
Compound name
1-[2-(cyclopropylamino)-2-oxoethyl]cyclopentane-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

211.12085 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 212.12813 145.3
[M+Na]+ 234.11007 151.2
[M-H]- 210.11357 150.9
[M+NH4]+ 229.15467 161.3
[M+K]+ 250.08401 149.0
[M+H-H2O]+ 194.11811 140.5
[M+HCOO]- 256.11905 165.4
[M+CH3COO]- 270.13470 187.1
[M+Na-2H]- 232.09552 147.8
[M]+ 211.12030 144.7
[M]- 211.12140 144.7
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.