CID 11264998

73472-90-9

Structural Information

Molecular Formula

C₁₅H₁₄O₃

SMILES

COC(=O)C1=CC=CC=C1C(C2=CC=CC=C2)O

InChI

InChI=1S/C15H14O3/c1-18-15(17)13-10-6-5-9-12(13)14(16)11-7-3-2-4-8-11/h2-10,14,16H,1H3

InChIKey

CKZLXBIDMFDBJL-UHFFFAOYSA-N

Compound name

methyl 2-[hydroxy(phenyl)methyl]benzoate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 242.0943 Da
Monoisotopic Mass: 3.2
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]+	243.101576	153.9
[M+Na]+	265.083518	160.1
[M-H]-	241.087024	159.2
[M+NH4]+	260.128123	170.2
[M+K]+	281.057458	157.3
[M+H-H2O]+	225.091560	146.6
[M+HCOO]-	287.092501	175.3
[M+CH3COO]-	301.108151	190.0
[M+Na-2H]-	263.068966	157.8
[M]+	242.09375142	154.1
[M]-	242.09484858	154.1

Literature stripe

literature stripe

Patent stripe

patents stripe