CID 58018596

1-formylcyclobutanecarbonitrile

Structural Information

Molecular Formula

SMILES

C1CC(C1)(C=O)C#N

InChI

InChI=1S/C6H7NO/c7-4-6(5-8)2-1-3-6/h5H,1-3H2

InChIKey

KNIBNWUTPJTCES-UHFFFAOYSA-N

Compound name

1-formylcyclobutane-1-carbonitrile

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 26
Patents: 109.052765 Da
Monoisotopic Mass: 0.5
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]+	110.06004	115.2
[M+Na]+	132.04198	124.0
[M-H]-	108.04549	119.4
[M+NH4]+	127.08659	131.9
[M+K]+	148.01592	126.3
[M+H-H2O]+	92.050025	101.2
[M+HCOO]-	154.05097	134.7
[M+CH3COO]-	168.06662	184.0
[M+Na-2H]-	130.02743	123.4
[M]+	109.05222	118.0
[M]-	109.05331	118.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe