CID 166373

(p-tert-butylphenoxy)acetaldehyde

Structural Information

Molecular Formula
C12H16O2
SMILES
CC(C)(C)C1=CC=C(C=C1)OCC=O
InChI
InChI=1S/C12H16O2/c1-12(2,3)10-4-6-11(7-5-10)14-9-8-13/h4-8H,9H2,1-3H3
InChIKey
MNRZECIRFMLTEY-UHFFFAOYSA-N
Compound name
2-(4-tert-butylphenoxy)acetaldehyde
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

583
Patents

192.11504 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 193.12232 142.3
[M+Na]+ 215.10426 150.3
[M-H]- 191.10776 146.2
[M+NH4]+ 210.14886 162.4
[M+K]+ 231.07820 148.6
[M+H-H2O]+ 175.11230 137.0
[M+HCOO]- 237.11324 165.1
[M+CH3COO]- 251.12889 184.4
[M+Na-2H]- 213.08971 149.1
[M]+ 192.11449 145.5
[M]- 192.11559 145.5
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

patents stripe