CID 105658

Einecs 267-176-0

Structural Information

Molecular Formula
C17H16O4
SMILES
CC1=CC(=C(C=C1)C(=O)OC)C2=CC=C(C=C2)C(=O)OC
InChI
InChI=1S/C17H16O4/c1-11-4-9-14(17(19)21-3)15(10-11)12-5-7-13(8-6-12)16(18)20-2/h4-10H,1-3H3
InChIKey
WYSSHTHBSQSSNM-UHFFFAOYSA-N
Compound name
methyl 2-(4-methoxycarbonylphenyl)-4-methylbenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

284.10486 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 285.112136 163.2
[M+Na]+ 307.094078 171.2
[M-H]- 283.097584 170.5
[M+NH4]+ 302.138683 179.1
[M+K]+ 323.068018 169.0
[M+H-H2O]+ 267.102120 155.6
[M+HCOO]- 329.103061 185.9
[M+CH3COO]- 343.118711 201.5
[M+Na-2H]- 305.079526 165.3
[M]+ 284.10431142 167.5
[M]- 284.10540858 167.5
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.