CID 6378

Propylene oxide

Structural Information

Molecular Formula

SMILES

CC1CO1

InChI

InChI=1S/C3H6O/c1-3-2-4-3/h3H,2H2,1H3

InChIKey

GOOHAUXETOMSMM-UHFFFAOYSA-N

Compound name

2-methyloxirane

Related CIDs

2D Structure

compound 2d structure

10
Annotation Hits: 1233
References: 69428
Patents: 58.041866 Da
Monoisotopic Mass: 0.0
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]+	59.049142	107.2
[M+Na]+	81.031084	117.7
[M-H]-	57.034590	113.3
[M+NH4]+	76.075689	126.2
[M+K]+	97.005024	118.9
[M+H-H2O]+	41.039126	102.0
[M+HCOO]-	103.04007	131.6
[M+CH3COO]-	117.05572	162.7
[M+Na-2H]-	79.016532	117.7
[M]+	58.041317	110.6
[M]-	58.042415	110.6

Literature stripe

literature stripe

Patent stripe

patents stripe