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

1484
Patents

171.1048 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 172.11208 141.1
[M+Na]+ 194.09402 149.8
[M-H]- 170.09752 143.9
[M+NH4]+ 189.13862 159.4
[M+K]+ 210.06796 145.6
[M+H-H2O]+ 154.10206 128.7
[M+HCOO]- 216.10300 160.4
[M+CH3COO]- 230.11865 193.3
[M+Na-2H]- 192.07947 146.0
[M]+ 171.10425 135.7
[M]- 171.10535 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