CID 143748

2,4,6-trimethylheptan-4-ol

Structural Information

Molecular Formula
C10H22O
SMILES
CC(C)CC(C)(CC(C)C)O
InChI
InChI=1S/C10H22O/c1-8(2)6-10(5,11)7-9(3)4/h8-9,11H,6-7H2,1-5H3
InChIKey
QSVYJSJPLCSACO-UHFFFAOYSA-N
Compound name
2,4,6-trimethylheptan-4-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

117
Patents

158.16707 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 159.17435 140.5
[M+Na]+ 181.15629 145.8
[M-H]- 157.15979 139.2
[M+NH4]+ 176.20089 161.1
[M+K]+ 197.13023 145.4
[M+H-H2O]+ 141.16433 136.6
[M+HCOO]- 203.16527 158.3
[M+CH3COO]- 217.18092 180.7
[M+Na-2H]- 179.14174 143.2
[M]+ 158.16652 141.1
[M]- 158.16762 141.1
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