CID 131438993

(2,6,7-trimethyl-2,3-dihydro-1,4-benzodioxin-2-yl)methanol

Structural Information

Molecular Formula
C12H16O3
SMILES
CC1=CC2=C(C=C1C)OC(CO2)(C)CO
InChI
InChI=1S/C12H16O3/c1-8-4-10-11(5-9(8)2)15-12(3,6-13)7-14-10/h4-5,13H,6-7H2,1-3H3
InChIKey
KVQWJSRAMMCXPP-UHFFFAOYSA-N
Compound name
(3,6,7-trimethyl-2H-1,4-benzodioxin-3-yl)methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

208.10994 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 209.11722 144.1
[M+Na]+ 231.09916 153.1
[M-H]- 207.10266 149.2
[M+NH4]+ 226.14376 163.5
[M+K]+ 247.07310 153.2
[M+H-H2O]+ 191.10720 139.0
[M+HCOO]- 253.10814 162.0
[M+CH3COO]- 267.12379 185.3
[M+Na-2H]- 229.08461 152.4
[M]+ 208.10939 146.3
[M]- 208.11049 146.3
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

No patent data available for this compound.