CID 11970724

Ns00123146

Structural Information

Molecular Formula
C12H22O4
SMILES
CC(CC(C)OCC1CO1)COCC2CO2
InChI
InChI=1S/C12H22O4/c1-9(4-13-5-11-7-15-11)3-10(2)14-6-12-8-16-12/h9-12H,3-8H2,1-2H3
InChIKey
LIBCJUDSNJQSPY-UHFFFAOYSA-N
Compound name
2-[[4-methyl-5-(oxiran-2-ylmethoxy)pentan-2-yl]oxymethyl]oxirane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

230.15181 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 231.159086 161.0
[M+Na]+ 253.141028 166.5
[M-H]- 229.144534 168.8
[M+NH4]+ 248.185633 165.8
[M+K]+ 269.114968 168.2
[M+H-H2O]+ 213.149070 153.7
[M+HCOO]- 275.150011 177.5
[M+CH3COO]- 289.165661 202.7
[M+Na-2H]- 251.126476 163.5
[M]+ 230.15126142 170.5
[M]- 230.15235858 170.5
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

No patent data available for this compound.