CID 2967410

1-(4-methylcyclohexyl)-5-oxopyrrolidine-3-carboxylic acid

Structural Information

Molecular Formula
C12H19NO3
SMILES
CC1CCC(CC1)N2CC(CC2=O)C(=O)O
InChI
InChI=1S/C12H19NO3/c1-8-2-4-10(5-3-8)13-7-9(12(15)16)6-11(13)14/h8-10H,2-7H2,1H3,(H,15,16)
InChIKey
BJIQLSRXOWUKSC-UHFFFAOYSA-N
Compound name
1-(4-methylcyclohexyl)-5-oxopyrrolidine-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

225.13649 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 226.14377 153.2
[M+Na]+ 248.12571 161.5
[M+NH4]+ 243.17031 160.0
[M+K]+ 264.09965 158.9
[M-H]- 224.12921 154.0
[M+Na-2H]- 246.11116 155.3
[M]+ 225.13594 154.1
[M]- 225.13704 154.1
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.