CID 28458

3,7-dimethylnonane

Structural Information

Molecular Formula
C11H24
SMILES
CCC(C)CCCC(C)CC
InChI
InChI=1S/C11H24/c1-5-10(3)8-7-9-11(4)6-2/h10-11H,5-9H2,1-4H3
InChIKey
YGPVLXJHRFZYJJ-UHFFFAOYSA-N
Compound name
3,7-dimethylnonane
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

176
Patents

156.1878 Da
Monoisotopic Mass

5.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 157.195076 142.4
[M+Na]+ 179.177018 147.1
[M-H]- 155.180524 142.1
[M+NH4]+ 174.221623 163.7
[M+K]+ 195.150958 146.6
[M+H-H2O]+ 139.185060 137.5
[M+HCOO]- 201.186001 162.6
[M+CH3COO]- 215.201651 184.2
[M+Na-2H]- 177.162466 144.4
[M]+ 156.18725142 144.3
[M]- 156.18834858 144.3
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