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]+ 186.091336 140.3
[M+Na]+ 208.073278 155.7
[M-H]- 184.076784 148.9
[M+NH4]+ 203.117883 157.1
[M+K]+ 224.047218 148.8
[M+H-H2O]+ 168.081320 131.0
[M+HCOO]- 230.082261 161.9
[M+CH3COO]- 244.097911 196.6
[M+Na-2H]- 206.058726 148.4
[M]+ 185.08351142 139.6
[M]- 185.08460858 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.