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

42
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 155.8
[M+Na]+ 270.11007 161.3
[M-H]- 246.11357 160.4
[M+NH4]+ 265.15467 171.3
[M+K]+ 286.08401 158.9
[M+H-H2O]+ 230.11811 147.6
[M+HCOO]- 292.11905 174.6
[M+CH3COO]- 306.13470 192.6
[M+Na-2H]- 268.09552 158.3
[M]+ 247.12030 154.1
[M]- 247.12140 154.1
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