CID 53625439

2-{1-[(2-methylpropyl)carbamoyl]piperidin-3-yl}acetic acid

Structural Information

Molecular Formula
C12H22N2O3
SMILES
CC(C)CNC(=O)N1CCCC(C1)CC(=O)O
InChI
InChI=1S/C12H22N2O3/c1-9(2)7-13-12(17)14-5-3-4-10(8-14)6-11(15)16/h9-10H,3-8H2,1-2H3,(H,13,17)(H,15,16)
InChIKey
UZOMUKSOSWQWPO-UHFFFAOYSA-N
Compound name
2-[1-(2-methylpropylcarbamoyl)piperidin-3-yl]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

242.16304 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 243.170316 158.9
[M+Na]+ 265.152258 161.4
[M-H]- 241.155764 158.5
[M+NH4]+ 260.196863 173.7
[M+K]+ 281.126198 160.4
[M+H-H2O]+ 225.160300 151.9
[M+HCOO]- 287.161241 174.4
[M+CH3COO]- 301.176891 193.4
[M+Na-2H]- 263.137706 158.1
[M]+ 242.16249142 154.8
[M]- 242.16358858 154.8
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.