CID 3015987

4-methyloctan-1-ol

Structural Information

Molecular Formula
C9H20O
SMILES
CCCCC(C)CCCO
InChI
InChI=1S/C9H20O/c1-3-4-6-9(2)7-5-8-10/h9-10H,3-8H2,1-2H3
InChIKey
MWWKESKJRHQWEF-UHFFFAOYSA-N
Compound name
4-methyloctan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

42
References

2769
Patents

144.15141 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 145.15869 137.0
[M+Na]+ 167.14063 142.3
[M-H]- 143.14413 135.4
[M+NH4]+ 162.18523 158.0
[M+K]+ 183.11457 141.4
[M+H-H2O]+ 127.14867 132.4
[M+HCOO]- 189.14961 157.5
[M+CH3COO]- 203.16526 176.5
[M+Na-2H]- 165.12608 140.7
[M]+ 144.15086 138.3
[M]- 144.15196 138.3
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