CID 20831761

Benzeneacetonitrile, alpha-butylidene-, (alphaz)-

Structural Information

Molecular Formula
C12H13N
SMILES
CCC/C=C(/C#N)\C1=CC=CC=C1
InChI
InChI=1S/C12H13N/c1-2-3-7-12(10-13)11-8-5-4-6-9-11/h4-9H,2-3H2,1H3/b12-7-
InChIKey
UYBGOPSMJQAVEH-GHXNOFRVSA-N
Compound name
(E)-2-phenylhex-2-enenitrile
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

190
Patents

171.1048 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 172.11208 141.7
[M+Na]+ 194.09402 154.0
[M+NH4]+ 189.13862 147.1
[M+K]+ 210.06796 143.2
[M-H]- 170.09752 137.0
[M+Na-2H]- 192.07947 146.3
[M]+ 171.10425 141.3
[M]- 171.10535 141.3
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