CID 66060197

2,2-diethyl-4-methoxybutan-1-ol

Structural Information

Molecular Formula
C9H20O2
SMILES
CCC(CC)(CCOC)CO
InChI
InChI=1S/C9H20O2/c1-4-9(5-2,8-10)6-7-11-3/h10H,4-8H2,1-3H3
InChIKey
OXJZDXHOYSLVLL-UHFFFAOYSA-N
Compound name
2,2-diethyl-4-methoxybutan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

160.14633 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 161.153606 139.5
[M+Na]+ 183.135548 145.5
[M-H]- 159.139054 138.1
[M+NH4]+ 178.180153 160.1
[M+K]+ 199.109488 145.0
[M+H-H2O]+ 143.143590 135.3
[M+HCOO]- 205.144531 159.8
[M+CH3COO]- 219.160181 177.9
[M+Na-2H]- 181.120996 145.1
[M]+ 160.14578142 142.5
[M]- 160.14687858 142.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe