CID 45051349

853351-00-5

Structural Information

Molecular Formula
C14H16ClNO2
SMILES
COC1=CC=CC(=C1Cl)/C=C/C(=O)N2CCCC2
InChI
InChI=1S/C14H16ClNO2/c1-18-12-6-4-5-11(14(12)15)7-8-13(17)16-9-2-3-10-16/h4-8H,2-3,9-10H2,1H3/b8-7+
InChIKey
YJIGAOONRQGUEY-BQYQJAHWSA-N
Compound name
(E)-3-(2-chloro-3-methoxyphenyl)-1-pyrrolidin-1-ylprop-2-en-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

265.08694 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 266.09422 161.0
[M+Na]+ 288.07616 168.5
[M-H]- 264.07966 165.9
[M+NH4]+ 283.12076 178.8
[M+K]+ 304.05010 163.5
[M+H-H2O]+ 248.08420 154.0
[M+HCOO]- 310.08514 177.2
[M+CH3COO]- 324.10079 193.1
[M+Na-2H]- 286.06161 161.3
[M]+ 265.08639 161.9
[M]- 265.08749 161.9
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.