CID 3519541

Cgp 13501

Structural Information

Molecular Formula
C19H30O2
SMILES
CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)CC(C)(C)C=O
InChI
InChI=1S/C19H30O2/c1-17(2,3)14-9-13(11-19(7,8)12-20)10-15(16(14)21)18(4,5)6/h9-10,12,21H,11H2,1-8H3
InChIKey
XGWATTXMMMANFJ-UHFFFAOYSA-N
Compound name
3-(3,5-ditert-butyl-4-hydroxyphenyl)-2,2-dimethylpropanal
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

21
References

109
Patents

290.22458 Da
Monoisotopic Mass

5.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 291.23186 170.5
[M+Na]+ 313.21380 177.7
[M-H]- 289.21730 173.2
[M+NH4]+ 308.25840 186.8
[M+K]+ 329.18774 174.8
[M+H-H2O]+ 273.22184 166.0
[M+HCOO]- 335.22278 186.2
[M+CH3COO]- 349.23843 205.7
[M+Na-2H]- 311.19925 174.1
[M]+ 290.22403 174.0
[M]- 290.22513 174.0
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