CID 45085166

403615-62-3

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

12
Patents

123.06841 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 124.075686 121.9
[M+Na]+ 146.057628 130.0
[M-H]- 122.061134 126.0
[M+NH4]+ 141.102233 138.0
[M+K]+ 162.031568 132.5
[M+H-H2O]+ 106.065670 107.6
[M+HCOO]- 168.066611 140.1
[M+CH3COO]- 182.082261 187.3
[M+Na-2H]- 144.043076 128.2
[M]+ 123.06786142 124.3
[M]- 123.06895858 124.3
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

patents stripe