CID 111479

3-pentanol, 1-(2-hydroxyethoxy)-2,2,4-trimethyl-

Structural Information

Molecular Formula
C10H22O3
SMILES
CC(C)C(C(C)(C)COCCO)O
InChI
InChI=1S/C10H22O3/c1-8(2)9(12)10(3,4)7-13-6-5-11/h8-9,11-12H,5-7H2,1-4H3
InChIKey
IDKLTESMXSAQGI-UHFFFAOYSA-N
Compound name
1-(2-hydroxyethoxy)-2,2,4-trimethylpentan-3-ol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

3
Patents

190.15689 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 191.164166 147.6
[M+Na]+ 213.146108 152.3
[M-H]- 189.149614 144.8
[M+NH4]+ 208.190713 166.1
[M+K]+ 229.120048 152.0
[M+H-H2O]+ 173.154150 143.4
[M+HCOO]- 235.155091 164.3
[M+CH3COO]- 249.170741 181.9
[M+Na-2H]- 211.131556 149.7
[M]+ 190.15634142 149.2
[M]- 190.15743858 149.2
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