CID 15439201

1-methyl-2-oxocyclobutane-1-carbonitrile

Structural Information

Molecular Formula
C6H7NO
SMILES
CC1(CCC1=O)C#N
InChI
InChI=1S/C6H7NO/c1-6(4-7)3-2-5(6)8/h2-3H2,1H3
InChIKey
URDYAKCLRNWBEP-UHFFFAOYSA-N
Compound name
1-methyl-2-oxocyclobutane-1-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

109.052765 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 110.06004 114.6
[M+Na]+ 132.04198 124.2
[M-H]- 108.04549 119.2
[M+NH4]+ 127.08659 131.6
[M+K]+ 148.01592 126.6
[M+H-H2O]+ 92.050025 100.9
[M+HCOO]- 154.05097 134.2
[M+CH3COO]- 168.06662 184.9
[M+Na-2H]- 130.02743 122.3
[M]+ 109.05222 117.7
[M]- 109.05331 117.7
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

No patent data available for this compound.