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]+ 381.227156 188.8
[M+Na]+ 403.209098 193.8
[M-H]- 379.212604 189.7
[M+NH4]+ 398.253703 200.1
[M+K]+ 419.183038 193.0
[M+H-H2O]+ 363.217140 183.8
[M+HCOO]- 425.218081 201.4
[M+CH3COO]- 439.233731 217.1
[M+Na-2H]- 401.194546 189.8
[M]+ 380.21933142 194.8
[M]- 380.22042858 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.