CID 11971259

Acetoin propyleneglycol ketal

Structural Information

Molecular Formula
C7H14O3
SMILES
CC1COC(O1)(C)C(C)O
InChI
InChI=1S/C7H14O3/c1-5-4-9-7(3,10-5)6(2)8/h5-6,8H,4H2,1-3H3
InChIKey
ZLBNMXMVFWMHAV-UHFFFAOYSA-N
Compound name
1-(2,4-dimethyl-1,3-dioxolan-2-yl)ethanol
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

57
Patents

146.0943 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 147.101576 129.3
[M+Na]+ 169.083518 136.5
[M-H]- 145.087024 132.9
[M+NH4]+ 164.128123 151.3
[M+K]+ 185.057458 138.7
[M+H-H2O]+ 129.091560 126.0
[M+HCOO]- 191.092501 148.5
[M+CH3COO]- 205.108151 171.2
[M+Na-2H]- 167.068966 135.3
[M]+ 146.09375142 130.0
[M]- 146.09484858 130.0
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