CID 3022099

3,5-di-tert-butyl-4-hydroxybenzyl formate

Structural Information

Molecular Formula
C16H24O3
SMILES
CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)COC=O
InChI
InChI=1S/C16H24O3/c1-15(2,3)12-7-11(9-19-10-17)8-13(14(12)18)16(4,5)6/h7-8,10,18H,9H2,1-6H3
InChIKey
JAVYTICZAGNGHS-UHFFFAOYSA-N
Compound name
(3,5-ditert-butyl-4-hydroxyphenyl)methyl formate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

47
Patents

264.17255 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 265.179826 162.3
[M+Na]+ 287.161768 170.3
[M-H]- 263.165274 165.2
[M+NH4]+ 282.206373 179.5
[M+K]+ 303.135708 168.1
[M+H-H2O]+ 247.169810 157.5
[M+HCOO]- 309.170751 180.8
[M+CH3COO]- 323.186401 198.1
[M+Na-2H]- 285.147216 166.3
[M]+ 264.17200142 166.7
[M]- 264.17309858 166.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe