CID 28512923

1-[(propan-2-yl)carbamoyl]piperidine-4-carboxylic acid

Structural Information

Molecular Formula
C10H18N2O3
SMILES
CC(C)NC(=O)N1CCC(CC1)C(=O)O
InChI
InChI=1S/C10H18N2O3/c1-7(2)11-10(15)12-5-3-8(4-6-12)9(13)14/h7-8H,3-6H2,1-2H3,(H,11,15)(H,13,14)
InChIKey
NNVNEGUYUNQMTQ-UHFFFAOYSA-N
Compound name
1-(propan-2-ylcarbamoyl)piperidine-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

214.13174 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 215.139016 149.9
[M+Na]+ 237.120958 153.3
[M-H]- 213.124464 149.9
[M+NH4]+ 232.165563 165.9
[M+K]+ 253.094898 152.7
[M+H-H2O]+ 197.129000 143.3
[M+HCOO]- 259.129941 166.1
[M+CH3COO]- 273.145591 187.4
[M+Na-2H]- 235.106406 150.1
[M]+ 214.13119142 145.0
[M]- 214.13228858 145.0
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

patents stripe