CID 639902

Tert-butyl 2-(4-formylphenoxy)acetate

Structural Information

Molecular Formula
C13H16O4
SMILES
CC(C)(C)OC(=O)COC1=CC=C(C=C1)C=O
InChI
InChI=1S/C13H16O4/c1-13(2,3)17-12(15)9-16-11-6-4-10(8-14)5-7-11/h4-8H,9H2,1-3H3
InChIKey
TZONEPGXYVZUKR-UHFFFAOYSA-N
Compound name
tert-butyl 2-(4-formylphenoxy)acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

83
Patents

236.10486 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 237.11214 151.8
[M+Na]+ 259.09408 159.2
[M-H]- 235.09758 155.6
[M+NH4]+ 254.13868 169.8
[M+K]+ 275.06802 158.3
[M+H-H2O]+ 219.10212 146.0
[M+HCOO]- 281.10306 173.9
[M+CH3COO]- 295.11871 190.7
[M+Na-2H]- 257.07953 157.0
[M]+ 236.10431 156.8
[M]- 236.10541 156.8
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

patents stripe