CID 366200

Nsc634527

Structural Information

Molecular Formula
C12H14O3
SMILES
CC1(C(=CC(OO1)O)C2=CC=CC=C2)C
InChI
InChI=1S/C12H14O3/c1-12(2)10(8-11(13)14-15-12)9-6-4-3-5-7-9/h3-8,11,13H,1-2H3
InChIKey
RPGCUYGTCLLTGD-UHFFFAOYSA-N
Compound name
6,6-dimethyl-5-phenyl-3H-1,2-dioxin-3-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

206.0943 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 207.10158 143.6
[M+Na]+ 229.08352 151.7
[M-H]- 205.08702 150.8
[M+NH4]+ 224.12812 161.4
[M+K]+ 245.05746 151.8
[M+H-H2O]+ 189.09156 137.7
[M+HCOO]- 251.09250 163.2
[M+CH3COO]- 265.10815 182.3
[M+Na-2H]- 227.06897 151.8
[M]+ 206.09375 144.1
[M]- 206.09485 144.1
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

No patent data available for this compound.