CID 107276

1,3-dioxolane-4-methanol, 2-(4-methylphenyl)-

Structural Information

Molecular Formula
C11H14O3
SMILES
CC1=CC=C(C=C1)C2OCC(O2)CO
InChI
InChI=1S/C11H14O3/c1-8-2-4-9(5-3-8)11-13-7-10(6-12)14-11/h2-5,10-12H,6-7H2,1H3
InChIKey
DPJJKJUHERNDSZ-UHFFFAOYSA-N
Compound name
[2-(4-methylphenyl)-1,3-dioxolan-4-yl]methanol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

1
Patents

194.0943 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 195.101576 140.8
[M+Na]+ 217.083518 148.1
[M-H]- 193.087024 147.6
[M+NH4]+ 212.128123 158.8
[M+K]+ 233.057458 148.1
[M+H-H2O]+ 177.091560 135.4
[M+HCOO]- 239.092501 161.4
[M+CH3COO]- 253.108151 179.5
[M+Na-2H]- 215.068966 146.0
[M]+ 194.09375142 141.3
[M]- 194.09484858 141.3
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