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]+ 243.17032 158.9
[M+Na]+ 265.15226 161.4
[M-H]- 241.15576 158.5
[M+NH4]+ 260.19686 173.7
[M+K]+ 281.12620 160.4
[M+H-H2O]+ 225.16030 151.9
[M+HCOO]- 287.16124 174.4
[M+CH3COO]- 301.17689 193.4
[M+Na-2H]- 263.13771 158.1
[M]+ 242.16249 154.8
[M]- 242.16359 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.