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]+ 172.075696 132.8
[M+Na]+ 194.057638 142.3
[M-H]- 170.061144 139.1
[M+NH4]+ 189.102243 147.2
[M+K]+ 210.031578 141.9
[M+H-H2O]+ 154.065680 117.0
[M+HCOO]- 216.066621 152.2
[M+CH3COO]- 230.082271 194.0
[M+Na-2H]- 192.043086 139.7
[M]+ 171.06787142 135.1
[M]- 171.06896858 135.1
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