CID 23294974

3-oxo-1-phenylcyclobutane-1-carbonitrile

Structural Information

Molecular Formula
C11H9NO
SMILES
C1C(=O)CC1(C#N)C2=CC=CC=C2
InChI
InChI=1S/C11H9NO/c12-8-11(6-10(13)7-11)9-4-2-1-3-5-9/h1-5H,6-7H2
InChIKey
KGKZWWPKRDPAHQ-UHFFFAOYSA-N
Compound name
3-oxo-1-phenylcyclobutane-1-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

171.06842 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 172.07570 136.7
[M+Na]+ 194.05764 145.4
[M+NH4]+ 189.10224 140.1
[M+K]+ 210.03158 135.9
[M-H]- 170.06114 130.8
[M+Na-2H]- 192.04309 141.3
[M]+ 171.06787 134.6
[M]- 171.06897 134.6
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