CID 102495

2-methyloctan-1-ol

Structural Information

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

2D Structure

compound 2d structure
6
Annotation Hits

0
References

1758
Patents

144.15141 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 145.158686 137.0
[M+Na]+ 167.140628 142.3
[M-H]- 143.144134 135.4
[M+NH4]+ 162.185233 158.0
[M+K]+ 183.114568 141.4
[M+H-H2O]+ 127.148670 132.4
[M+HCOO]- 189.149611 157.5
[M+CH3COO]- 203.165261 176.5
[M+Na-2H]- 165.126076 140.7
[M]+ 144.15086142 138.3
[M]- 144.15195858 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