CID 111611

(2,6-di-tert-butyl-4-methylphenoxy)acetaldehyde

Structural Information

Molecular Formula
C17H26O2
SMILES
CC1=CC(=C(C(=C1)C(C)(C)C)OCC=O)C(C)(C)C
InChI
InChI=1S/C17H26O2/c1-12-10-13(16(2,3)4)15(19-9-8-18)14(11-12)17(5,6)7/h8,10-11H,9H2,1-7H3
InChIKey
QPHOIPTWOLYQDA-UHFFFAOYSA-N
Compound name
2-(2,6-ditert-butyl-4-methylphenoxy)acetaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

262.19327 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 263.200546 162.6
[M+Na]+ 285.182488 170.7
[M-H]- 261.185994 166.7
[M+NH4]+ 280.227093 180.7
[M+K]+ 301.156428 168.5
[M+H-H2O]+ 245.190530 157.5
[M+HCOO]- 307.191471 182.1
[M+CH3COO]- 321.207121 201.7
[M+Na-2H]- 283.167936 166.4
[M]+ 262.19272142 167.8
[M]- 262.19381858 167.8
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.