CID 20402

Thymotinic alcohol

Structural Information

Molecular Formula
C11H16O2
SMILES
CC1=CC(=C(C=C1CO)C(C)C)O
InChI
InChI=1S/C11H16O2/c1-7(2)10-5-9(6-12)8(3)4-11(10)13/h4-5,7,12-13H,6H2,1-3H3
InChIKey
OTVWOWODDGZITR-UHFFFAOYSA-N
Compound name
4-(hydroxymethyl)-5-methyl-2-propan-2-ylphenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

11
Patents

180.11504 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 181.12232 139.2
[M+Na]+ 203.10426 147.4
[M-H]- 179.10776 140.8
[M+NH4]+ 198.14886 158.7
[M+K]+ 219.07820 144.9
[M+H-H2O]+ 163.11230 134.4
[M+HCOO]- 225.11324 159.5
[M+CH3COO]- 239.12889 180.5
[M+Na-2H]- 201.08971 142.1
[M]+ 180.11449 139.5
[M]- 180.11559 139.5
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