CID 4627654

1-cyclohexanecarbonylpyrrolidine-2-carboxylic acid

Structural Information

Molecular Formula
C12H19NO3
SMILES
C1CCC(CC1)C(=O)N2CCCC2C(=O)O
InChI
InChI=1S/C12H19NO3/c14-11(9-5-2-1-3-6-9)13-8-4-7-10(13)12(15)16/h9-10H,1-8H2,(H,15,16)
InChIKey
HAKVQQRIKXMAJZ-UHFFFAOYSA-N
Compound name
1-(cyclohexanecarbonyl)pyrrolidine-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

26
Patents

225.13649 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 226.14377 153.7
[M+Na]+ 248.12571 156.3
[M-H]- 224.12921 156.2
[M+NH4]+ 243.17031 170.7
[M+K]+ 264.09965 154.6
[M+H-H2O]+ 208.13375 146.7
[M+HCOO]- 270.13469 168.4
[M+CH3COO]- 284.15034 184.5
[M+Na-2H]- 246.11116 151.7
[M]+ 225.13594 146.2
[M]- 225.13704 146.2
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

patents stripe