CID 62603

6386-38-5

Structural Information

Molecular Formula
C18H28O3
SMILES
CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)CCC(=O)OC
InChI
InChI=1S/C18H28O3/c1-17(2,3)13-10-12(8-9-15(19)21-7)11-14(16(13)20)18(4,5)6/h10-11,20H,8-9H2,1-7H3
InChIKey
PXMJCECEFTYEKE-UHFFFAOYSA-N
Compound name
methyl 3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoate
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

4074
Patents

292.20386 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 293.21114 170.7
[M+Na]+ 315.19308 177.6
[M-H]- 291.19658 173.3
[M+NH4]+ 310.23768 186.7
[M+K]+ 331.16702 175.5
[M+H-H2O]+ 275.20112 165.6
[M+HCOO]- 337.20206 187.6
[M+CH3COO]- 351.21771 204.3
[M+Na-2H]- 313.17853 172.5
[M]+ 292.20331 175.1
[M]- 292.20441 175.1
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

No patent data available for this compound.