CID 3038932

Methyl 2-(4-acetylphenoxy)-2-methylpropanoate

Structural Information

Molecular Formula
C13H16O4
SMILES
CC(=O)C1=CC=C(C=C1)OC(C)(C)C(=O)OC
InChI
InChI=1S/C13H16O4/c1-9(14)10-5-7-11(8-6-10)17-13(2,3)12(15)16-4/h5-8H,1-4H3
InChIKey
LWLRITLSGGNJTL-UHFFFAOYSA-N
Compound name
methyl 2-(4-acetylphenoxy)-2-methylpropanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

15
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 150.9
[M+Na]+ 259.09408 158.0
[M-H]- 235.09758 154.8
[M+NH4]+ 254.13868 168.8
[M+K]+ 275.06802 157.6
[M+H-H2O]+ 219.10212 145.2
[M+HCOO]- 281.10306 172.0
[M+CH3COO]- 295.11871 192.3
[M+Na-2H]- 257.07953 155.0
[M]+ 236.10431 155.4
[M]- 236.10541 155.4
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