CID 66824709

1-methyl-3-oxocyclobutane-1-carbonitrile

Structural Information

Molecular Formula
C6H7NO
SMILES
CC1(CC(=O)C1)C#N
InChI
InChI=1S/C6H7NO/c1-6(4-7)2-5(8)3-6/h2-3H2,1H3
InChIKey
IBGURYMREHOQDE-UHFFFAOYSA-N
Compound name
1-methyl-3-oxocyclobutane-1-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

83
Patents

109.052765 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 110.06004 121.2
[M+Na]+ 132.04198 128.2
[M+NH4]+ 127.08659 124.2
[M+K]+ 148.01592 120.2
[M-H]- 108.04549 113.1
[M+Na-2H]- 130.02743 123.5
[M]+ 109.05222 118.1
[M]- 109.05331 118.1
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