CID 103737

2h-1-benzopyran-2,6-diol, 3,4-dihydro-2,5,7,8-tetramethyl-

Structural Information

Molecular Formula
C13H18O3
SMILES
CC1=C(C2=C(CCC(O2)(C)O)C(=C1O)C)C
InChI
InChI=1S/C13H18O3/c1-7-8(2)12-10(9(3)11(7)14)5-6-13(4,15)16-12/h14-15H,5-6H2,1-4H3
InChIKey
BTFSFQNWGHJWJH-UHFFFAOYSA-N
Compound name
2,5,7,8-tetramethyl-3,4-dihydrochromene-2,6-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

38
Patents

222.1256 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 223.132876 147.8
[M+Na]+ 245.114818 157.7
[M-H]- 221.118324 151.4
[M+NH4]+ 240.159423 167.8
[M+K]+ 261.088758 155.8
[M+H-H2O]+ 205.122860 143.4
[M+HCOO]- 267.123801 164.7
[M+CH3COO]- 281.139451 188.2
[M+Na-2H]- 243.100266 153.1
[M]+ 222.12505142 148.8
[M]- 222.12614858 148.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe