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]+ 161.15361 139.5
[M+Na]+ 183.13555 145.5
[M-H]- 159.13905 138.1
[M+NH4]+ 178.18015 160.1
[M+K]+ 199.10949 145.0
[M+H-H2O]+ 143.14359 135.3
[M+HCOO]- 205.14453 159.8
[M+CH3COO]- 219.16018 177.9
[M+Na-2H]- 181.12100 145.1
[M]+ 160.14578 142.5
[M]- 160.14688 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