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

32
Patents

225.13649 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 226.143766 153.7
[M+Na]+ 248.125708 156.3
[M-H]- 224.129214 156.2
[M+NH4]+ 243.170313 170.7
[M+K]+ 264.099648 154.6
[M+H-H2O]+ 208.133750 146.7
[M+HCOO]- 270.134691 168.4
[M+CH3COO]- 284.150341 184.5
[M+Na-2H]- 246.111156 151.7
[M]+ 225.13594142 146.2
[M]- 225.13703858 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