CID 836520

2,5-dimethylphenyl 4-methoxybenzoate

Structural Information

Molecular Formula
C16H16O3
SMILES
CC1=CC(=C(C=C1)C)OC(=O)C2=CC=C(C=C2)OC
InChI
InChI=1S/C16H16O3/c1-11-4-5-12(2)15(10-11)19-16(17)13-6-8-14(18-3)9-7-13/h4-10H,1-3H3
InChIKey
GVKHOOLEEJKREZ-UHFFFAOYSA-N
Compound name
(2,5-dimethylphenyl) 4-methoxybenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

256.10995 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 257.117226 156.8
[M+Na]+ 279.099168 165.3
[M-H]- 255.102674 164.2
[M+NH4]+ 274.143773 174.1
[M+K]+ 295.073108 162.8
[M+H-H2O]+ 239.107210 149.4
[M+HCOO]- 301.108151 180.5
[M+CH3COO]- 315.123801 197.0
[M+Na-2H]- 277.084616 160.6
[M]+ 256.10940142 160.7
[M]- 256.11049858 160.7
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.