CID 40634

Trolox

Structural Information

Molecular Formula
C14H18O4
SMILES
CC1=C(C2=C(CCC(O2)(C)C(=O)O)C(=C1O)C)C
InChI
InChI=1S/C14H18O4/c1-7-8(2)12-10(9(3)11(7)15)5-6-14(4,18-12)13(16)17/h15H,5-6H2,1-4H3,(H,16,17)
InChIKey
GLEVLJDDWXEYCO-UHFFFAOYSA-N
Compound name
6-hydroxy-2,5,7,8-tetramethyl-3,4-dihydrochromene-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
5
Annotation Hits

3064
References

23950
Patents

250.12051 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 251.127786 153.8
[M+Na]+ 273.109728 163.1
[M-H]- 249.113234 157.2
[M+NH4]+ 268.154333 172.4
[M+K]+ 289.083668 161.5
[M+H-H2O]+ 233.117770 149.3
[M+HCOO]- 295.118711 169.7
[M+CH3COO]- 309.134361 193.7
[M+Na-2H]- 271.095176 157.5
[M]+ 250.11996142 155.3
[M]- 250.12105858 155.3
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