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]+ 263.20055 162.6
[M+Na]+ 285.18249 170.7
[M-H]- 261.18599 166.7
[M+NH4]+ 280.22709 180.7
[M+K]+ 301.15643 168.5
[M+H-H2O]+ 245.19053 157.5
[M+HCOO]- 307.19147 182.1
[M+CH3COO]- 321.20712 201.7
[M+Na-2H]- 283.16794 166.4
[M]+ 262.19272 167.8
[M]- 262.19382 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.