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]+ 226.143766 150.3
[M+Na]+ 248.125708 155.0
[M-H]- 224.129214 155.4
[M+NH4]+ 243.170313 164.0
[M+K]+ 264.099648 153.1
[M+H-H2O]+ 208.133750 144.9
[M+HCOO]- 270.134691 168.3
[M+CH3COO]- 284.150341 190.4
[M+Na-2H]- 246.111156 153.3
[M]+ 225.13594142 148.0
[M]- 225.13703858 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.