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
4
Annotation Hits

0
References

153
Patents

224.10486 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 225.11214 147.9
[M+Na]+ 247.09408 156.5
[M-H]- 223.09758 155.3
[M+NH4]+ 242.13868 165.3
[M+K]+ 263.06802 156.8
[M+H-H2O]+ 207.10212 142.7
[M+HCOO]- 269.10306 168.3
[M+CH3COO]- 283.11871 187.2
[M+Na-2H]- 245.07953 151.3
[M]+ 224.10431 151.0
[M]- 224.10541 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