CID 537126

2,4-dimethylheptan-1-ol

Structural Information

Molecular Formula
C9H20O
SMILES
CCCC(C)CC(C)CO
InChI
InChI=1S/C9H20O/c1-4-5-8(2)6-9(3)7-10/h8-10H,4-7H2,1-3H3
InChIKey
HVRFWRROUIDGQO-UHFFFAOYSA-N
Compound name
2,4-dimethylheptan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

619
Patents

144.15141 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 145.15869 137.3
[M+Na]+ 167.14063 142.4
[M-H]- 143.14413 135.8
[M+NH4]+ 162.18523 158.3
[M+K]+ 183.11457 141.9
[M+H-H2O]+ 127.14867 132.8
[M+HCOO]- 189.14961 156.9
[M+CH3COO]- 203.16526 177.3
[M+Na-2H]- 165.12608 139.7
[M]+ 144.15086 137.9
[M]- 144.15196 137.9
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