CID 360978

Nsc623709

Structural Information

Molecular Formula
C15H20N2
SMILES
CN(C)C(CCCC=C)(C#N)C1=CC=CC=C1
InChI
InChI=1S/C15H20N2/c1-4-5-9-12-15(13-16,17(2)3)14-10-7-6-8-11-14/h4,6-8,10-11H,1,5,9,12H2,2-3H3
InChIKey
RGCVRGBZZQDPCM-UHFFFAOYSA-N
Compound name
2-(dimethylamino)-2-phenylhept-6-enenitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

228.16264 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 229.16992 159.6
[M+Na]+ 251.15186 166.7
[M-H]- 227.15536 163.2
[M+NH4]+ 246.19646 176.0
[M+K]+ 267.12580 163.4
[M+H-H2O]+ 211.15990 146.4
[M+HCOO]- 273.16084 178.7
[M+CH3COO]- 287.17649 209.0
[M+Na-2H]- 249.13731 163.9
[M]+ 228.16209 155.6
[M]- 228.16319 155.6
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.