CID 57358374

4-(4,5-dimethyl-1,3-dioxolan-2-yl)-2-methoxyphenol

Structural Information

Molecular Formula
C12H16O4
SMILES
CC1C(OC(O1)C2=CC(=C(C=C2)O)OC)C
InChI
InChI=1S/C12H16O4/c1-7-8(2)16-12(15-7)9-4-5-10(13)11(6-9)14-3/h4-8,12-13H,1-3H3
InChIKey
JZJHVHUFPUYAJF-UHFFFAOYSA-N
Compound name
4-(4,5-dimethyl-1,3-dioxolan-2-yl)-2-methoxyphenol
Related CIDs

2D Structure

compound 2d structure
6
Annotation Hits

0
References

86
Patents

224.10486 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 225.112136 147.9
[M+Na]+ 247.094078 156.5
[M-H]- 223.097584 155.3
[M+NH4]+ 242.138683 165.3
[M+K]+ 263.068018 156.8
[M+H-H2O]+ 207.102120 142.7
[M+HCOO]- 269.103061 168.3
[M+CH3COO]- 283.118711 187.2
[M+Na-2H]- 245.079526 151.3
[M]+ 224.10431142 151.0
[M]- 224.10540858 151.0
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