CID 176472650

1-(1-ethoxyethoxy)hexane-3,4-diol

Structural Information

Molecular Formula
C10H22O4
SMILES
CCC(C(CCOC(C)OCC)O)O
InChI
InChI=1S/C10H22O4/c1-4-9(11)10(12)6-7-14-8(3)13-5-2/h8-12H,4-7H2,1-3H3
InChIKey
XZWGSIHPVMYVRM-UHFFFAOYSA-N
Compound name
1-(1-ethoxyethoxy)hexane-3,4-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

206.15181 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 207.159086 151.5
[M+Na]+ 229.141028 155.4
[M-H]- 205.144534 148.2
[M+NH4]+ 224.185633 168.9
[M+K]+ 245.114968 155.6
[M+H-H2O]+ 189.149070 146.2
[M+HCOO]- 251.150011 168.9
[M+CH3COO]- 265.165661 184.5
[M+Na-2H]- 227.126476 151.5
[M]+ 206.15126142 154.2
[M]- 206.15235858 154.2
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

No patent data available for this compound.