CID 25004

2,8-dimethyl-6-(2-methylpropyl)nonan-4-ol

Structural Information

Molecular Formula
C15H32O
SMILES
CC(C)CC(CC(C)C)CC(CC(C)C)O
InChI
InChI=1S/C15H32O/c1-11(2)7-14(8-12(3)4)10-15(16)9-13(5)6/h11-16H,7-10H2,1-6H3
InChIKey
OTFAOIKIARLOEM-UHFFFAOYSA-N
Compound name
2,8-dimethyl-6-(2-methylpropyl)nonan-4-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

228.24532 Da
Monoisotopic Mass

5.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 229.25260 164.9
[M+Na]+ 251.23454 167.0
[M-H]- 227.23804 162.6
[M+NH4]+ 246.27914 182.4
[M+K]+ 267.20848 166.4
[M+H-H2O]+ 211.24258 159.7
[M+HCOO]- 273.24352 179.6
[M+CH3COO]- 287.25917 198.0
[M+Na-2H]- 249.21999 160.4
[M]+ 228.24477 165.9
[M]- 228.24587 165.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe