CID 82975368

Methyl 2-((2,5-dimethylphenoxy)methyl)benzoate

Structural Information

Molecular Formula
C17H18O3
SMILES
CC1=CC(=C(C=C1)C)OCC2=CC=CC=C2C(=O)OC
InChI
InChI=1S/C17H18O3/c1-12-8-9-13(2)16(10-12)20-11-14-6-4-5-7-15(14)17(18)19-3/h4-10H,11H2,1-3H3
InChIKey
ZWJSRGCAPYEAEE-UHFFFAOYSA-N
Compound name
methyl 2-[(2,5-dimethylphenoxy)methyl]benzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

270.12558 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 271.13286 161.6
[M+Na]+ 293.11480 169.6
[M-H]- 269.11830 168.7
[M+NH4]+ 288.15940 178.3
[M+K]+ 309.08874 166.8
[M+H-H2O]+ 253.12284 154.0
[M+HCOO]- 315.12378 184.8
[M+CH3COO]- 329.13943 199.9
[M+Na-2H]- 291.10025 164.8
[M]+ 270.12503 165.8
[M]- 270.12613 165.8
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.