CID 234485

(3-methyloxiran-2-yl)methanol

Structural Information

Molecular Formula

C₄H₈O₂

SMILES

CC1C(O1)CO

InChI

InChI=1S/C4H8O2/c1-3-4(2-5)6-3/h3-5H,2H2,1H3

InChIKey

QQHZNUPEBVRUFO-UHFFFAOYSA-N

Compound name

(3-methyloxiran-2-yl)methanol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 462
Patents: 88.05243 Da
Monoisotopic Mass: -0.3
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]+	89.059706	114.8
[M+Na]+	111.04165	127.5
[M+NH4]+	106.08625	123.9
[M+K]+	127.01559	124.6
[M-H]-	87.045154	123.6
[M+Na-2H]-	109.02710	122.2
[M]+	88.051881	120.1
[M]-	88.052979	120.1

Literature stripe

literature stripe

Patent stripe

patents stripe