CID 5382677

2-propenenitrile, 2-methyl-3-phenyl-

Structural Information

Molecular Formula
C10H9N
SMILES
C/C(=C/C1=CC=CC=C1)/C#N
InChI
InChI=1S/C10H9N/c1-9(8-11)7-10-5-3-2-4-6-10/h2-7H,1H3/b9-7-
InChIKey
MSOYJTDJKBEDPF-CLFYSBASSA-N
Compound name
(Z)-2-methyl-3-phenylprop-2-enenitrile
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

144
Patents

143.0735 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 144.080776 133.0
[M+Na]+ 166.062718 142.5
[M-H]- 142.066224 136.2
[M+NH4]+ 161.107323 152.3
[M+K]+ 182.036658 138.8
[M+H-H2O]+ 126.070760 121.0
[M+HCOO]- 188.071701 152.9
[M+CH3COO]- 202.087351 187.8
[M+Na-2H]- 164.048166 138.9
[M]+ 143.07295142 126.9
[M]- 143.07404858 126.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe