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

0
Patents

186.10045 Da
Monoisotopic Mass

-0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 187.107726 140.9
[M+Na]+ 209.089668 145.4
[M-H]- 185.093174 141.1
[M+NH4]+ 204.134273 158.0
[M+K]+ 225.063608 144.7
[M+H-H2O]+ 169.097710 134.5
[M+HCOO]- 231.098651 158.7
[M+CH3COO]- 245.114301 180.4
[M+Na-2H]- 207.075116 143.3
[M]+ 186.09990142 135.9
[M]- 186.10099858 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