CID 103862

4-methyl-2-propylpentan-1-ol

Structural Information

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

2D Structure

compound 2d structure
3
Annotation Hits

0
References

40
Patents

144.15141 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 145.15869 135.5
[M+Na]+ 167.14063 144.8
[M+NH4]+ 162.18523 143.3
[M+K]+ 183.11457 139.6
[M-H]- 143.14413 134.7
[M+Na-2H]- 165.12608 138.1
[M]+ 144.15086 136.4
[M]- 144.15196 136.4
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