CID 75639

Einecs 219-729-2

Structural Information

Molecular Formula
C16H24O3
SMILES
CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)C(=O)OC
InChI
InChI=1S/C16H24O3/c1-15(2,3)11-8-10(14(18)19-7)9-12(13(11)17)16(4,5)6/h8-9,17H,1-7H3
InChIKey
UPVYFJALDJUSOV-UHFFFAOYSA-N
Compound name
methyl 3,5-ditert-butyl-4-hydroxybenzoate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

1477
Patents

264.17255 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 265.179826 161.2
[M+Na]+ 287.161768 169.0
[M-H]- 263.165274 164.2
[M+NH4]+ 282.206373 178.4
[M+K]+ 303.135708 167.4
[M+H-H2O]+ 247.169810 156.6
[M+HCOO]- 309.170751 178.8
[M+CH3COO]- 323.186401 198.3
[M+Na-2H]- 285.147216 164.1
[M]+ 264.17200142 164.9
[M]- 264.17309858 164.9
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