CID 74627

Formic acid, 4-methylphenyl ester

Structural Information

Molecular Formula

C₈H₈O₂

SMILES

CC1=CC=C(C=C1)OC=O

InChI

InChI=1S/C8H8O2/c1-7-2-4-8(5-3-7)10-6-9/h2-6H,1H3

InChIKey

NEIANUMOAXBNRT-UHFFFAOYSA-N

Compound name

(4-methylphenyl) formate

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 1741
Patents: 136.05243 Da
Monoisotopic Mass: 2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	137.05971	124.8
[M+Na]+	159.04165	138.6
[M+NH4]+	154.08625	133.9
[M+K]+	175.01559	131.9
[M-H]-	135.04515	127.2
[M+Na-2H]-	157.02710	132.8
[M]+	136.05188	127.4
[M]-	136.05298	127.4

Literature stripe

literature stripe

Patent stripe

patents stripe