CID 151899

6-hydroxy-2,2,5,7-tetramethylchroman

Structural Information

Molecular Formula
C13H18O2
SMILES
CC1=CC2=C(CCC(O2)(C)C)C(=C1O)C
InChI
InChI=1S/C13H18O2/c1-8-7-11-10(9(2)12(8)14)5-6-13(3,4)15-11/h7,14H,5-6H2,1-4H3
InChIKey
JCUAPADRRINJBH-UHFFFAOYSA-N
Compound name
2,2,5,7-tetramethyl-3,4-dihydrochromen-6-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

25
Patents

206.13068 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 207.137956 144.2
[M+Na]+ 229.119898 153.8
[M-H]- 205.123404 148.9
[M+NH4]+ 224.164503 165.4
[M+K]+ 245.093838 152.0
[M+H-H2O]+ 189.127940 139.5
[M+HCOO]- 251.128881 162.5
[M+CH3COO]- 265.144531 187.2
[M+Na-2H]- 227.105346 150.5
[M]+ 206.13013142 145.1
[M]- 206.13122858 145.1
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

patents stripe