CID 26565

2,2-diethyl-1-pentanol

Structural Information

Molecular Formula
C9H20O
SMILES
CCCC(CC)(CC)CO
InChI
InChI=1S/C9H20O/c1-4-7-9(5-2,6-3)8-10/h10H,4-8H2,1-3H3
InChIKey
PHSORZZLPKIHMG-UHFFFAOYSA-N
Compound name
2,2-diethylpentan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

42
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 136.3
[M+Na]+ 167.14063 142.4
[M-H]- 143.14413 135.0
[M+NH4]+ 162.18523 157.6
[M+K]+ 183.11457 141.4
[M+H-H2O]+ 127.14867 132.4
[M+HCOO]- 189.14961 156.4
[M+CH3COO]- 203.16526 176.0
[M+Na-2H]- 165.12608 142.0
[M]+ 144.15086 137.8
[M]- 144.15196 137.8
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