CID 4377949

14631-43-7

Structural Information

Molecular Formula

SMILES

C1CC(OC1)C#N

InChI

InChI=1S/C5H7NO/c6-4-5-2-1-3-7-5/h5H,1-3H2

InChIKey

RZZIKHSWRWWPAN-UHFFFAOYSA-N

Compound name

oxolane-2-carbonitrile

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 882
Patents: 97.052765 Da
Monoisotopic Mass: 0.4
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]+	98.060041	114.6
[M+Na]+	120.04198	124.1
[M-H]-	96.045489	118.2
[M+NH4]+	115.08659	135.9
[M+K]+	136.01592	123.6
[M+H-H2O]+	80.050025	103.2
[M+HCOO]-	142.05097	134.2
[M+CH3COO]-	156.06662	177.4
[M+Na-2H]-	118.02743	121.8
[M]+	97.052216	108.3
[M]-	97.053314	108.3

Literature stripe

literature stripe

Patent stripe

patents stripe