CID 112446

3,7-dimethylnona-2,6-dienenitrile

Structural Information

Molecular Formula
C11H17N
SMILES
CCC(=CCCC(=CC#N)C)C
InChI
InChI=1S/C11H17N/c1-4-10(2)6-5-7-11(3)8-9-12/h6,8H,4-5,7H2,1-3H3
InChIKey
DHJVLXVXNFUSMU-UHFFFAOYSA-N
Compound name
3,7-dimethylnona-2,6-dienenitrile
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

975
Patents

163.1361 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 164.14338 140.7
[M+Na]+ 186.12532 150.2
[M+NH4]+ 181.16992 144.8
[M+K]+ 202.09926 141.0
[M-H]- 162.12882 133.2
[M+Na-2H]- 184.11077 141.4
[M]+ 163.13555 138.9
[M]- 163.13665 138.9
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