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
4
Annotation Hits

0
References

1101
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 139.9
[M+Na]+ 186.12532 147.5
[M-H]- 162.12882 140.5
[M+NH4]+ 181.16992 158.9
[M+K]+ 202.09926 145.3
[M+H-H2O]+ 146.13336 128.6
[M+HCOO]- 208.13430 157.5
[M+CH3COO]- 222.14995 194.3
[M+Na-2H]- 184.11077 142.2
[M]+ 163.13555 135.4
[M]- 163.13665 135.4
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