CID 144998321

1-(2-oxoethyl)cyclobutane-1-carbonitrile

Structural Information

Molecular Formula
C7H9NO
SMILES
C1CC(C1)(CC=O)C#N
InChI
InChI=1S/C7H9NO/c8-6-7(4-5-9)2-1-3-7/h5H,1-4H2
InChIKey
WQOLTEFVNAPCKS-UHFFFAOYSA-N
Compound name
1-(2-oxoethyl)cyclobutane-1-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

123.06841 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 124.07569 119.2
[M+Na]+ 146.05763 127.6
[M-H]- 122.06113 123.3
[M+NH4]+ 141.10223 135.4
[M+K]+ 162.03157 129.7
[M+H-H2O]+ 106.06567 105.0
[M+HCOO]- 168.06661 138.5
[M+CH3COO]- 182.08226 186.6
[M+Na-2H]- 144.04308 126.9
[M]+ 123.06786 122.3
[M]- 123.06896 122.3
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.