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]+ 186.091336 138.8
[M+Na]+ 208.073278 153.0
[M-H]- 184.076784 147.0
[M+NH4]+ 203.117883 153.7
[M+K]+ 224.047218 146.2
[M+H-H2O]+ 168.081320 128.6
[M+HCOO]- 230.082261 159.8
[M+CH3COO]- 244.097911 197.7
[M+Na-2H]- 206.058726 145.0
[M]+ 185.08351142 137.1
[M]- 185.08460858 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.