CID 99479

2,2,5,7,8-pentamethyl-6-chromanol

Structural Information

Molecular Formula
C14H20O2
SMILES
CC1=C(C2=C(CCC(O2)(C)C)C(=C1O)C)C
InChI
InChI=1S/C14H20O2/c1-8-9(2)13-11(10(3)12(8)15)6-7-14(4,5)16-13/h15H,6-7H2,1-5H3
InChIKey
SEBPXHSZHLFWRL-UHFFFAOYSA-N
Compound name
2,2,5,7,8-pentamethyl-3,4-dihydrochromen-6-ol
Related CIDs

2D Structure

compound 2d structure
5
Annotation Hits

166
References

4163
Patents

220.14633 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 221.15361 148.0
[M+Na]+ 243.13555 158.0
[M-H]- 219.13905 152.9
[M+NH4]+ 238.18015 169.0
[M+K]+ 259.10949 156.2
[M+H-H2O]+ 203.14359 143.4
[M+HCOO]- 265.14453 165.9
[M+CH3COO]- 279.16018 191.5
[M+Na-2H]- 241.12100 153.2
[M]+ 220.14578 149.7
[M]- 220.14688 149.7
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