CID 58018596

1-formylcyclobutane-1-carbonitrile

Structural Information

Molecular Formula
C6H7NO
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

25
Patents

109.052765 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 110.060041 115.2
[M+Na]+ 132.041983 124.0
[M-H]- 108.045489 119.4
[M+NH4]+ 127.086588 131.9
[M+K]+ 148.015923 126.3
[M+H-H2O]+ 92.050025 101.2
[M+HCOO]- 154.050966 134.7
[M+CH3COO]- 168.066616 184.0
[M+Na-2H]- 130.027431 123.4
[M]+ 109.05221642 118.0
[M]- 109.05331358 118.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe