CID 106214

3,7-nonadienenitrile, 3,7,8-trimethyl-

Structural Information

Molecular Formula
C12H19N
SMILES
CC(=C(C)CCC=C(C)CC#N)C
InChI
InChI=1S/C12H19N/c1-10(2)12(4)7-5-6-11(3)8-9-13/h6H,5,7-8H2,1-4H3
InChIKey
HBSCQFFTLCILMW-UHFFFAOYSA-N
Compound name
3,7,8-trimethylnona-3,7-dienenitrile
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

177.15175 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 178.15903 144.6
[M+Na]+ 200.14097 153.7
[M+NH4]+ 195.18557 148.5
[M+K]+ 216.11491 144.9
[M-H]- 176.14447 136.9
[M+Na-2H]- 198.12642 144.8
[M]+ 177.15120 142.7
[M]- 177.15230 142.7
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

No patent data available for this compound.