CID 3017660

4-methyl-2-propylhexan-1-ol

Structural Information

Molecular Formula
C10H22O
SMILES
CCCC(CC(C)CC)CO
InChI
InChI=1S/C10H22O/c1-4-6-10(8-11)7-9(3)5-2/h9-11H,4-8H2,1-3H3
InChIKey
VZXWJVFQXZUFQS-UHFFFAOYSA-N
Compound name
4-methyl-2-propylhexan-1-ol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

763
Patents

158.16707 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 159.174346 142.0
[M+Na]+ 181.156288 146.7
[M-H]- 157.159794 140.3
[M+NH4]+ 176.200893 162.4
[M+K]+ 197.130228 145.9
[M+H-H2O]+ 141.164330 137.3
[M+HCOO]- 203.165271 161.2
[M+CH3COO]- 217.180921 180.3
[M+Na-2H]- 179.141736 143.8
[M]+ 158.16652142 143.0
[M]- 158.16761858 143.0
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