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

69
Patents

146.0943 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 147.10158 129.3
[M+Na]+ 169.08352 136.5
[M-H]- 145.08702 132.9
[M+NH4]+ 164.12812 151.3
[M+K]+ 185.05746 138.7
[M+H-H2O]+ 129.09156 126.0
[M+HCOO]- 191.09250 148.5
[M+CH3COO]- 205.10815 171.2
[M+Na-2H]- 167.06897 135.3
[M]+ 146.09375 130.0
[M]- 146.09485 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