CID 150981

4-tert-butyl-2,6-bis(hydroxymethyl)phenol

Structural Information

Molecular Formula
C12H18O3
SMILES
CC(C)(C)C1=CC(=C(C(=C1)CO)O)CO
InChI
InChI=1S/C12H18O3/c1-12(2,3)10-4-8(6-13)11(15)9(5-10)7-14/h4-5,13-15H,6-7H2,1-3H3
InChIKey
SIBBGGADHQDMHI-UHFFFAOYSA-N
Compound name
4-tert-butyl-2,6-bis(hydroxymethyl)phenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

1006
Patents

210.1256 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 211.13288 147.8
[M+Na]+ 233.11482 159.0
[M+NH4]+ 228.15942 154.6
[M+K]+ 249.08876 154.5
[M-H]- 209.11832 147.6
[M+Na-2H]- 231.10027 151.9
[M]+ 210.12505 149.2
[M]- 210.12615 149.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

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Patent stripe

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