CID 1381163

(z)-3-methyl-5-phenylpent-2-enenitrile

Structural Information

Molecular Formula
C12H13N
SMILES
C/C(=C/C#N)/CCC1=CC=CC=C1
InChI
InChI=1S/C12H13N/c1-11(9-10-13)7-8-12-5-3-2-4-6-12/h2-6,9H,7-8H2,1H3/b11-9-
InChIKey
QELCXXZZKSRBET-LUAWRHEFSA-N
Compound name
(Z)-3-methyl-5-phenylpent-2-enenitrile
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

5
References

1512
Patents

171.1048 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 172.112076 141.1
[M+Na]+ 194.094018 149.8
[M-H]- 170.097524 143.9
[M+NH4]+ 189.138623 159.4
[M+K]+ 210.067958 145.6
[M+H-H2O]+ 154.102060 128.7
[M+HCOO]- 216.103001 160.4
[M+CH3COO]- 230.118651 193.3
[M+Na-2H]- 192.079466 146.0
[M]+ 171.10425142 135.7
[M]- 171.10534858 135.7
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