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]+ 191.16417 147.6
[M+Na]+ 213.14611 152.3
[M-H]- 189.14961 144.8
[M+NH4]+ 208.19071 166.1
[M+K]+ 229.12005 152.0
[M+H-H2O]+ 173.15415 143.4
[M+HCOO]- 235.15509 164.3
[M+CH3COO]- 249.17074 181.9
[M+Na-2H]- 211.13156 149.7
[M]+ 190.15634 149.2
[M]- 190.15744 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