CID 521311

4,6-dimethylheptan-2-ol

Structural Information

Molecular Formula
C9H20O
SMILES
CC(C)CC(C)CC(C)O
InChI
InChI=1S/C9H20O/c1-7(2)5-8(3)6-9(4)10/h7-10H,5-6H2,1-4H3
InChIKey
YYUGBYFBCFRGNZ-UHFFFAOYSA-N
Compound name
4,6-dimethylheptan-2-ol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

155
Patents

144.15141 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 145.158686 137.3
[M+Na]+ 167.140628 142.3
[M-H]- 143.144134 135.9
[M+NH4]+ 162.185233 158.3
[M+K]+ 183.114568 142.2
[M+H-H2O]+ 127.148670 132.9
[M+HCOO]- 189.149611 155.9
[M+CH3COO]- 203.165261 178.2
[M+Na-2H]- 165.126076 138.5
[M]+ 144.15086142 137.3
[M]- 144.15195858 137.3
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