CID 89145450

3-formylcyclobutane-1-carbonitrile

Structural Information

Molecular Formula
C6H7NO
SMILES
C1C(CC1C#N)C=O
InChI
InChI=1S/C6H7NO/c7-3-5-1-6(2-5)4-8/h4-6H,1-2H2
InChIKey
OVTBCTJEUJKOBK-UHFFFAOYSA-N
Compound name
3-formylcyclobutane-1-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

109.052765 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 110.06004 122.8
[M+Na]+ 132.04198 129.6
[M+NH4]+ 127.08659 124.6
[M+K]+ 148.01592 123.0
[M-H]- 108.04549 114.7
[M+Na-2H]- 130.02743 123.6
[M]+ 109.05222 119.5
[M]- 109.05331 119.5
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