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 127.2
[M+Na]+ 146.05763 133.4
[M+NH4]+ 141.10223 130.0
[M+K]+ 162.03157 125.7
[M-H]- 122.06113 118.9
[M+Na-2H]- 144.04308 129.0
[M]+ 123.06786 123.9
[M]- 123.06896 123.9
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