CID 22411355

139049-95-9

Structural Information

Molecular Formula

SMILES

CC1(CCCO1)C(=O)Cl

InChI

InChI=1S/C6H9ClO2/c1-6(5(7)8)3-2-4-9-6/h2-4H2,1H3

InChIKey

NLKJOESQIOHMFJ-UHFFFAOYSA-N

Compound name

2-methyloxolane-2-carbonyl chloride

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 31
Patents: 148.02911 Da
Monoisotopic Mass: 1.4
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]+	149.03639	127.2
[M+Na]+	171.01833	135.4
[M-H]-	147.02183	131.3
[M+NH4]+	166.06293	151.5
[M+K]+	186.99227	134.6
[M+H-H2O]+	131.02637	124.2
[M+HCOO]-	193.02731	144.6
[M+CH3COO]-	207.04296	170.5
[M+Na-2H]-	169.00378	133.2
[M]+	148.02856	128.0
[M]-	148.02966	128.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe