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]+ 257.11723 156.8
[M+Na]+ 279.09917 165.3
[M-H]- 255.10267 164.2
[M+NH4]+ 274.14377 174.1
[M+K]+ 295.07311 162.8
[M+H-H2O]+ 239.10721 149.4
[M+HCOO]- 301.10815 180.5
[M+CH3COO]- 315.12380 197.0
[M+Na-2H]- 277.08462 160.6
[M]+ 256.10940 160.7
[M]- 256.11050 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.