CID 19846205

Schembl11617422

Structural Information

Molecular Formula
C13H15NO3
SMILES
COC/C(=C\C1=CC(=C(C=C1)OC)OC)/C#N
InChI
InChI=1S/C13H15NO3/c1-15-9-11(8-14)6-10-4-5-12(16-2)13(7-10)17-3/h4-7H,9H2,1-3H3/b11-6-
InChIKey
ITWADOIIIDKDET-WDZFZDKYSA-N
Compound name
(Z)-3-(3,4-dimethoxyphenyl)-2-(methoxymethyl)prop-2-enenitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

233.1052 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 234.112476 150.9
[M+Na]+ 256.094418 160.5
[M-H]- 232.097924 154.3
[M+NH4]+ 251.139023 167.3
[M+K]+ 272.068358 158.1
[M+H-H2O]+ 216.102460 138.2
[M+HCOO]- 278.103401 170.6
[M+CH3COO]- 292.119051 203.4
[M+Na-2H]- 254.079866 154.3
[M]+ 233.10465142 150.4
[M]- 233.10574858 150.4
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