CID 28829604

Methyl 4-((4-oxopiperidin-1-yl)methyl)benzoate

Structural Information

Molecular Formula
C14H17NO3
SMILES
COC(=O)C1=CC=C(C=C1)CN2CCC(=O)CC2
InChI
InChI=1S/C14H17NO3/c1-18-14(17)12-4-2-11(3-5-12)10-15-8-6-13(16)7-9-15/h2-5H,6-10H2,1H3
InChIKey
KWNMPBHHMPXVQP-UHFFFAOYSA-N
Compound name
methyl 4-[(4-oxopiperidin-1-yl)methyl]benzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

41
Patents

247.12085 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 248.12813 156.8
[M+Na]+ 270.11007 168.9
[M+NH4]+ 265.15467 164.1
[M+K]+ 286.08401 162.6
[M-H]- 246.11357 159.4
[M+Na-2H]- 268.09552 163.0
[M]+ 247.12030 159.1
[M]- 247.12140 159.1
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