CID 83052

1,3-diisopropoxy-2-propanol

Structural Information

Molecular Formula
C9H20O3
SMILES
CC(C)OCC(COC(C)C)O
InChI
InChI=1S/C9H20O3/c1-7(2)11-5-9(10)6-12-8(3)4/h7-10H,5-6H2,1-4H3
InChIKey
AJJGRBMYVRSEES-UHFFFAOYSA-N
Compound name
1,3-di(propan-2-yloxy)propan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

58
Patents

176.14125 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 177.14853 143.4
[M+Na]+ 199.13047 148.2
[M-H]- 175.13397 141.9
[M+NH4]+ 194.17507 162.9
[M+K]+ 215.10441 149.2
[M+H-H2O]+ 159.13851 138.5
[M+HCOO]- 221.13945 162.4
[M+CH3COO]- 235.15510 182.1
[M+Na-2H]- 197.11592 144.5
[M]+ 176.14070 146.3
[M]- 176.14180 146.3
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