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

34
Patents

222.1256 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 223.13288 148.1
[M+Na]+ 245.11482 161.4
[M+NH4]+ 240.15942 157.9
[M+K]+ 261.08876 154.0
[M-H]- 221.11832 151.3
[M+Na-2H]- 243.10027 153.2
[M]+ 222.12505 151.1
[M]- 222.12615 151.1
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

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