CID 159510

2-(2,4-dimethylpentan-3-yloxy)ethanol

Structural Information

Molecular Formula
C9H20O2
SMILES
CC(C)C(C(C)C)OCCO
InChI
InChI=1S/C9H20O2/c1-7(2)9(8(3)4)11-6-5-10/h7-10H,5-6H2,1-4H3
InChIKey
QXGSHGKOPJABTM-UHFFFAOYSA-N
Compound name
2-(2,4-dimethylpentan-3-yloxy)ethanol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

160.14633 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 161.15361 140.5
[M+Na]+ 183.13555 145.4
[M-H]- 159.13905 139.0
[M+NH4]+ 178.18015 160.7
[M+K]+ 199.10949 145.8
[M+H-H2O]+ 143.14359 135.8
[M+HCOO]- 205.14453 159.3
[M+CH3COO]- 219.16018 180.1
[M+Na-2H]- 181.12100 141.6
[M]+ 160.14578 141.9
[M]- 160.14688 141.9
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

No patent data available for this compound.