CID 91980683

Ns00038704

Structural Information

Molecular Formula
C16H21NO4
SMILES
COC1=CC=C(C=C1)CCN2CCC(=O)C(C2)C(=O)OC
InChI
InChI=1S/C16H21NO4/c1-20-13-5-3-12(4-6-13)7-9-17-10-8-15(18)14(11-17)16(19)21-2/h3-6,14H,7-11H2,1-2H3
InChIKey
HWOCBMDBHBONOK-UHFFFAOYSA-N
Compound name
methyl 1-[2-(4-methoxyphenyl)ethyl]-4-oxopiperidine-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

291.14706 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 292.154336 167.3
[M+Na]+ 314.136278 172.8
[M-H]- 290.139784 171.9
[M+NH4]+ 309.180883 181.3
[M+K]+ 330.110218 170.6
[M+H-H2O]+ 274.144320 158.8
[M+HCOO]- 336.145261 185.6
[M+CH3COO]- 350.160911 202.0
[M+Na-2H]- 312.121726 168.2
[M]+ 291.14651142 168.1
[M]- 291.14760858 168.1
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

No patent data available for this compound.