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 152.4
[M+Na]+ 248.12571 157.1
[M-H]- 224.12921 155.6
[M+NH4]+ 243.17031 170.1
[M+K]+ 264.09965 154.8
[M+H-H2O]+ 208.13375 145.9
[M+HCOO]- 270.13469 168.1
[M+CH3COO]- 284.15034 186.7
[M+Na-2H]- 246.11116 150.4
[M]+ 225.13594 146.5
[M]- 225.13704 146.5
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.