CID 131395404

1-ethyl-3-oxocyclobutane-1-carbonitrile

Structural Information

Molecular Formula
C7H9NO
SMILES
CCC1(CC(=O)C1)C#N
InChI
InChI=1S/C7H9NO/c1-2-7(5-8)3-6(9)4-7/h2-4H2,1H3
InChIKey
INLYXJITBFDHHH-UHFFFAOYSA-N
Compound name
1-ethyl-3-oxocyclobutane-1-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

123.06841 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 124.07569 125.2
[M+Na]+ 146.05763 132.0
[M+NH4]+ 141.10223 128.1
[M+K]+ 162.03157 123.8
[M-H]- 122.06113 117.1
[M+Na-2H]- 144.04308 127.2
[M]+ 123.06786 122.1
[M]- 123.06896 122.1
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

No patent data available for this compound.