CID 18334393

Fenpyroximate m-15

Structural Information

Molecular Formula

C₁₃H₁₈O₃

SMILES

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

InChI

InChI=1S/C13H18O3/c1-13(2,3)16-12(15)8-10-4-6-11(9-14)7-5-10/h4-7,14H,8-9H2,1-3H3

InChIKey

XPAMHOQHTJVQEW-UHFFFAOYSA-N

Compound name

tert-butyl 2-[4-(hydroxymethyl)phenyl]acetate

Related CIDs

2D Structure

compound 2d structure

4
Annotation Hits: 0
References: 1
Patents: 222.1256 Da
Monoisotopic Mass: 1.8
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]+	223.13288	151.0
[M+Na]+	245.11482	157.8
[M-H]-	221.11832	153.3
[M+NH4]+	240.15942	169.0
[M+K]+	261.08876	156.0
[M+H-H2O]+	205.12286	145.6
[M+HCOO]-	267.12380	171.1
[M+CH3COO]-	281.13945	186.9
[M+Na-2H]-	243.10027	155.5
[M]+	222.12505	153.3
[M]-	222.12615	153.3

Literature stripe

literature stripe

Patent stripe

patents stripe