CID 386886

Nsc679744

Structural Information

Molecular Formula
C21H32O6
SMILES
CCOC(=O)C(C1=CC(=C(C(=C1)C(C)(C)C)O)C(C)(C)C)(C(=O)OCC)O
InChI
InChI=1S/C21H32O6/c1-9-26-17(23)21(25,18(24)27-10-2)13-11-14(19(3,4)5)16(22)15(12-13)20(6,7)8/h11-12,22,25H,9-10H2,1-8H3
InChIKey
YVGAGNKRDJQRDI-UHFFFAOYSA-N
Compound name
diethyl 2-(3,5-ditert-butyl-4-hydroxyphenyl)-2-hydroxypropanedioate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

380.21988 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 381.22716 188.8
[M+Na]+ 403.20910 193.8
[M-H]- 379.21260 189.7
[M+NH4]+ 398.25370 200.1
[M+K]+ 419.18304 193.0
[M+H-H2O]+ 363.21714 183.8
[M+HCOO]- 425.21808 201.4
[M+CH3COO]- 439.23373 217.1
[M+Na-2H]- 401.19455 189.8
[M]+ 380.21933 194.8
[M]- 380.22043 194.8
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.