CID 97754

(2-methyloxiran-2-yl)methanol

Structural Information

Molecular Formula

C₄H₈O₂

SMILES

CC1(CO1)CO

InChI

InChI=1S/C4H8O2/c1-4(2-5)3-6-4/h5H,2-3H2,1H3

InChIKey

AAVHHYWBSVSPPN-UHFFFAOYSA-N

Compound name

(2-methyloxiran-2-yl)methanol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 389
Patents: 88.05243 Da
Monoisotopic Mass: -0.6
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	117.0
[M+Na]+	111.04165	129.7
[M+NH4]+	106.08625	127.6
[M+K]+	127.01559	124.9
[M-H]-	87.045154	126.0
[M+Na-2H]-	109.02710	126.1
[M]+	88.051881	122.6
[M]-	88.052979	122.6

Literature stripe

literature stripe

Patent stripe

patents stripe