CID 84175

Ethyl p-tolylacetate

Structural Information

Molecular Formula
C11H14O2
SMILES
CCOC(=O)CC1=CC=C(C=C1)C
InChI
InChI=1S/C11H14O2/c1-3-13-11(12)8-10-6-4-9(2)5-7-10/h4-7H,3,8H2,1-2H3
InChIKey
BTRGZBIXPLFVNK-UHFFFAOYSA-N
Compound name
ethyl 2-(4-methylphenyl)acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

365
Patents

178.09938 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 179.10666 138.0
[M+Na]+ 201.08860 145.6
[M-H]- 177.09210 141.8
[M+NH4]+ 196.13320 158.4
[M+K]+ 217.06254 144.2
[M+H-H2O]+ 161.09664 132.3
[M+HCOO]- 223.09758 161.7
[M+CH3COO]- 237.11323 181.8
[M+Na-2H]- 199.07405 143.3
[M]+ 178.09883 140.5
[M]- 178.09993 140.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe