CID 40058

7-nonenenitrile, 4,8-dimethyl-

Structural Information

Molecular Formula
C11H19N
SMILES
CC(CCC=C(C)C)CCC#N
InChI
InChI=1S/C11H19N/c1-10(2)6-4-7-11(3)8-5-9-12/h6,11H,4-5,7-8H2,1-3H3
InChIKey
XBEJNXNMXKECFF-UHFFFAOYSA-N
Compound name
4,8-dimethylnon-7-enenitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

18
Patents

165.15175 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 166.15903 140.0
[M+Na]+ 188.14097 147.2
[M-H]- 164.14447 140.4
[M+NH4]+ 183.18557 158.9
[M+K]+ 204.11491 145.6
[M+H-H2O]+ 148.14901 128.6
[M+HCOO]- 210.14995 157.4
[M+CH3COO]- 224.16560 195.7
[M+Na-2H]- 186.12642 142.4
[M]+ 165.15120 136.2
[M]- 165.15230 136.2
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