CID 808227

1-(3,4,5-trimethoxycinnamoyl)pyrrolidine

Structural Information

Molecular Formula
C16H21NO4
SMILES
COC1=CC(=CC(=C1OC)OC)/C=C/C(=O)N2CCCC2
InChI
InChI=1S/C16H21NO4/c1-19-13-10-12(11-14(20-2)16(13)21-3)6-7-15(18)17-8-4-5-9-17/h6-7,10-11H,4-5,8-9H2,1-3H3/b7-6+
InChIKey
TYFKYDTUEMTUNY-VOTSOKGWSA-N
Compound name
(E)-1-pyrrolidin-1-yl-3-(3,4,5-trimethoxyphenyl)prop-2-en-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

7
References

1
Patents

291.14706 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 292.154336 167.9
[M+Na]+ 314.136278 174.3
[M-H]- 290.139784 173.0
[M+NH4]+ 309.180883 183.9
[M+K]+ 330.110218 172.0
[M+H-H2O]+ 274.144320 160.1
[M+HCOO]- 336.145261 188.4
[M+CH3COO]- 350.160911 200.8
[M+Na-2H]- 312.121726 167.3
[M]+ 291.14651142 170.8
[M]- 291.14760858 170.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe