CID 4962847

1-[(cyclopropylcarbamoyl)methyl]cyclohexane-1-carboxylic acid

Structural Information

Molecular Formula
C12H19NO3
SMILES
C1CCC(CC1)(CC(=O)NC2CC2)C(=O)O
InChI
InChI=1S/C12H19NO3/c14-10(13-9-4-5-9)8-12(11(15)16)6-2-1-3-7-12/h9H,1-8H2,(H,13,14)(H,15,16)
InChIKey
SYNZANFTXWYQOQ-UHFFFAOYSA-N
Compound name
1-[2-(cyclopropylamino)-2-oxoethyl]cyclohexane-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

225.13649 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 226.14377 150.3
[M+Na]+ 248.12571 155.0
[M-H]- 224.12921 155.4
[M+NH4]+ 243.17031 164.0
[M+K]+ 264.09965 153.1
[M+H-H2O]+ 208.13375 144.9
[M+HCOO]- 270.13469 168.3
[M+CH3COO]- 284.15034 190.4
[M+Na-2H]- 246.11116 153.3
[M]+ 225.13594 148.0
[M]- 225.13704 148.0
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.