CID 11971415

Oxiranylmethyl veratrate

Structural Information

Molecular Formula
C12H14O5
SMILES
COC1=C(C=C(C=C1)C(=O)OCC2CO2)OC
InChI
InChI=1S/C12H14O5/c1-14-10-4-3-8(5-11(10)15-2)12(13)17-7-9-6-16-9/h3-5,9H,6-7H2,1-2H3
InChIKey
VPTDIKOVZYYYNW-UHFFFAOYSA-N
Compound name
oxiran-2-ylmethyl 3,4-dimethoxybenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

238.08412 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 239.091396 150.5
[M+Na]+ 261.073338 160.3
[M-H]- 237.076844 159.2
[M+NH4]+ 256.117943 162.5
[M+K]+ 277.047278 159.9
[M+H-H2O]+ 221.081380 143.3
[M+HCOO]- 283.082321 173.7
[M+CH3COO]- 297.097971 193.6
[M+Na-2H]- 259.058786 156.0
[M]+ 238.08357142 159.8
[M]- 238.08466858 159.8
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.