CID 106214

67952-54-9

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 144.9
[M+Na]+ 200.14097 152.0
[M-H]- 176.14447 145.4
[M+NH4]+ 195.18557 163.3
[M+K]+ 216.11491 149.9
[M+H-H2O]+ 160.14901 133.6
[M+HCOO]- 222.14995 161.3
[M+CH3COO]- 236.16560 197.7
[M+Na-2H]- 198.12642 145.6
[M]+ 177.15120 140.1
[M]- 177.15230 140.1
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.