CID 43135697

1-(methylcarbamoyl)piperidine-4-carboxylic acid

Structural Information

Molecular Formula
C8H14N2O3
SMILES
CNC(=O)N1CCC(CC1)C(=O)O
InChI
InChI=1S/C8H14N2O3/c1-9-8(13)10-4-2-6(3-5-10)7(11)12/h6H,2-5H2,1H3,(H,9,13)(H,11,12)
InChIKey
XCXXOQIGAOCJFQ-UHFFFAOYSA-N
Compound name
1-(methylcarbamoyl)piperidine-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

186.10045 Da
Monoisotopic Mass

-0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 187.10773 140.9
[M+Na]+ 209.08967 145.4
[M-H]- 185.09317 141.1
[M+NH4]+ 204.13427 158.0
[M+K]+ 225.06361 144.7
[M+H-H2O]+ 169.09771 134.5
[M+HCOO]- 231.09865 158.7
[M+CH3COO]- 245.11430 180.4
[M+Na-2H]- 207.07512 143.3
[M]+ 186.09990 135.9
[M]- 186.10100 135.9
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