CID 4962582

854137-66-9

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]+ 212.128126 145.3
[M+Na]+ 234.110068 151.2
[M-H]- 210.113574 150.9
[M+NH4]+ 229.154673 161.3
[M+K]+ 250.084008 149.0
[M+H-H2O]+ 194.118110 140.5
[M+HCOO]- 256.119051 165.4
[M+CH3COO]- 270.134701 187.1
[M+Na-2H]- 232.095516 147.8
[M]+ 211.12030142 144.7
[M]- 211.12139858 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.