CID 62880214

3-oxo-3-(1-phenylcyclopropyl)propanenitrile

Structural Information

Molecular Formula
C12H11NO
SMILES
C1CC1(C2=CC=CC=C2)C(=O)CC#N
InChI
InChI=1S/C12H11NO/c13-9-6-11(14)12(7-8-12)10-4-2-1-3-5-10/h1-5H,6-8H2
InChIKey
HLZFHBWEAWBWRN-UHFFFAOYSA-N
Compound name
3-oxo-3-(1-phenylcyclopropyl)propanenitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

185.08406 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 186.09134 140.3
[M+Na]+ 208.07328 155.7
[M-H]- 184.07678 148.9
[M+NH4]+ 203.11788 157.1
[M+K]+ 224.04722 148.8
[M+H-H2O]+ 168.08132 131.0
[M+HCOO]- 230.08226 161.9
[M+CH3COO]- 244.09791 196.6
[M+Na-2H]- 206.05873 148.4
[M]+ 185.08351 139.6
[M]- 185.08461 139.6
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

No patent data available for this compound.