CID 3018334

Methyl 2-phenoxyisobutyrate

Structural Information

Molecular Formula
C11H14O3
SMILES
CC(C)(C(=O)OC)OC1=CC=CC=C1
InChI
InChI=1S/C11H14O3/c1-11(2,10(12)13-3)14-9-7-5-4-6-8-9/h4-8H,1-3H3
InChIKey
UAQIYYDCUSJYRL-UHFFFAOYSA-N
Compound name
methyl 2-methyl-2-phenoxypropanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

44
Patents

194.0943 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 195.10158 141.6
[M+Na]+ 217.08352 148.6
[M-H]- 193.08702 145.3
[M+NH4]+ 212.12812 161.1
[M+K]+ 233.05746 148.2
[M+H-H2O]+ 177.09156 136.0
[M+HCOO]- 239.09250 163.9
[M+CH3COO]- 253.10815 183.0
[M+Na-2H]- 215.06897 148.3
[M]+ 194.09375 144.7
[M]- 194.09485 144.7
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