CID 105767

2-methyl-4-tert-butylphenoxyacetaldehyde

Structural Information

Molecular Formula
C13H18O2
SMILES
CC1=C(C=CC(=C1)C(C)(C)C)OCC=O
InChI
InChI=1S/C13H18O2/c1-10-9-11(13(2,3)4)5-6-12(10)15-8-7-14/h5-7,9H,8H2,1-4H3
InChIKey
FNNIBABFMNWSRX-UHFFFAOYSA-N
Compound name
2-(4-tert-butyl-2-methylphenoxy)acetaldehyde
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

13
Patents

206.13068 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 207.13796 146.0
[M+Na]+ 229.11990 154.5
[M-H]- 205.12340 150.1
[M+NH4]+ 224.16450 165.9
[M+K]+ 245.09384 152.6
[M+H-H2O]+ 189.12794 140.8
[M+HCOO]- 251.12888 168.5
[M+CH3COO]- 265.14453 188.6
[M+Na-2H]- 227.10535 151.6
[M]+ 206.13013 149.9
[M]- 206.13123 149.9
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