CID 170284

3,7-dimethyloctanenitrile

Structural Information

Molecular Formula
C10H19N
SMILES
CC(C)CCCC(C)CC#N
InChI
InChI=1S/C10H19N/c1-9(2)5-4-6-10(3)7-8-11/h9-10H,4-7H2,1-3H3
InChIKey
SAPMLSXAXRULJB-UHFFFAOYSA-N
Compound name
3,7-dimethyloctanenitrile
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

90
Patents

153.15175 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 154.159026 136.0
[M+Na]+ 176.140968 143.2
[M-H]- 152.144474 136.5
[M+NH4]+ 171.185573 155.3
[M+K]+ 192.114908 142.5
[M+H-H2O]+ 136.149010 124.7
[M+HCOO]- 198.149951 153.5
[M+CH3COO]- 212.165601 194.5
[M+Na-2H]- 174.126416 138.9
[M]+ 153.15120142 132.5
[M]- 153.15229858 132.5
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