CID 143498

Methyl 2-methyl-2-phenylpropanoate

Structural Information

Molecular Formula
C11H14O2
SMILES
CC(C)(C1=CC=CC=C1)C(=O)OC
InChI
InChI=1S/C11H14O2/c1-11(2,10(12)13-3)9-7-5-4-6-8-9/h4-8H,1-3H3
InChIKey
WITYUUTUSPKOAB-UHFFFAOYSA-N
Compound name
methyl 2-methyl-2-phenylpropanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

383
Patents

178.09938 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 179.10666 138.2
[M+Na]+ 201.08860 145.4
[M-H]- 177.09210 142.0
[M+NH4]+ 196.13320 158.5
[M+K]+ 217.06254 144.4
[M+H-H2O]+ 161.09664 133.0
[M+HCOO]- 223.09758 160.4
[M+CH3COO]- 237.11323 181.0
[M+Na-2H]- 199.07405 145.0
[M]+ 178.09883 140.0
[M]- 178.09993 140.0
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

No patent data available for this compound.