CID 43156650

3-cyclopropyl-3-oxo-2-phenylpropanenitrile

Structural Information

Molecular Formula
C12H11NO
SMILES
C1CC1C(=O)C(C#N)C2=CC=CC=C2
InChI
InChI=1S/C12H11NO/c13-8-11(12(14)10-6-7-10)9-4-2-1-3-5-9/h1-5,10-11H,6-7H2
InChIKey
GCPGTXSZKXJMSM-UHFFFAOYSA-N
Compound name
3-cyclopropyl-3-oxo-2-phenylpropanenitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

185.08406 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 186.09134 138.8
[M+Na]+ 208.07328 153.0
[M-H]- 184.07678 147.0
[M+NH4]+ 203.11788 153.7
[M+K]+ 224.04722 146.2
[M+H-H2O]+ 168.08132 128.6
[M+HCOO]- 230.08226 159.8
[M+CH3COO]- 244.09791 197.7
[M+Na-2H]- 206.05873 145.0
[M]+ 185.08351 137.1
[M]- 185.08461 137.1
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

No patent data available for this compound.