CID 21151049

Gkcvbtjcnbaqfh-uhfffaoysa-n

Structural Information

Molecular Formula
C14H19NO4
SMILES
COCC(CC1=CC(=C(C(=C1)OC)OC)OC)C#N
InChI
InChI=1S/C14H19NO4/c1-16-9-11(8-15)5-10-6-12(17-2)14(19-4)13(7-10)18-3/h6-7,11H,5,9H2,1-4H3
InChIKey
GKCVBTJCNBAQFH-UHFFFAOYSA-N
Compound name
2-(methoxymethyl)-3-(3,4,5-trimethoxyphenyl)propanenitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

265.1314 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 266.138676 156.1
[M+Na]+ 288.120618 165.5
[M-H]- 264.124124 159.5
[M+NH4]+ 283.165223 171.5
[M+K]+ 304.094558 164.3
[M+H-H2O]+ 248.128660 143.2
[M+HCOO]- 310.129601 175.5
[M+CH3COO]- 324.145251 210.3
[M+Na-2H]- 286.106066 158.6
[M]+ 265.13085142 158.2
[M]- 265.13194858 158.2
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.