CID 16386

2082-79-3

Structural Information

Molecular Formula
C35H62O3
SMILES
CCCCCCCCCCCCCCCCCCOC(=O)CCC1=CC(=C(C(=C1)C(C)(C)C)O)C(C)(C)C
InChI
InChI=1S/C35H62O3/c1-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-26-38-32(36)25-24-29-27-30(34(2,3)4)33(37)31(28-29)35(5,6)7/h27-28,37H,8-26H2,1-7H3
InChIKey
SSDSCDGVMJFTEQ-UHFFFAOYSA-N
Compound name
octadecyl 3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoate
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

23
References

92710
Patents

530.4699 Da
Monoisotopic Mass

13.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 531.47718 247.7
[M+Na]+ 553.45912 247.1
[M-H]- 529.46262 246.7
[M+NH4]+ 548.50372 230.1
[M+K]+ 569.43306 241.1
[M+H-H2O]+ 513.46716 239.2
[M+HCOO]- 575.46810 243.5
[M+CH3COO]- 589.48375 254.1
[M+Na-2H]- 551.44457 240.7
[M]+ 530.46935 258.1
[M]- 530.47045 258.1
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