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]+ 124.07569 121.9
[M+Na]+ 146.05763 130.0
[M-H]- 122.06113 126.0
[M+NH4]+ 141.10223 138.0
[M+K]+ 162.03157 132.5
[M+H-H2O]+ 106.06567 107.6
[M+HCOO]- 168.06661 140.1
[M+CH3COO]- 182.08226 187.3
[M+Na-2H]- 144.04308 128.2
[M]+ 123.06786 124.3
[M]- 123.06896 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