CID 564952

2,2-dimethylpropyl phenyl carbonate

Structural Information

Molecular Formula
C12H16O3
SMILES
CC(C)(C)COC(=O)OC1=CC=CC=C1
InChI
InChI=1S/C12H16O3/c1-12(2,3)9-14-11(13)15-10-7-5-4-6-8-10/h4-8H,9H2,1-3H3
InChIKey
NPZHSLKOUUVCQB-UHFFFAOYSA-N
Compound name
2,2-dimethylpropyl phenyl carbonate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

208.10994 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 209.117216 146.7
[M+Na]+ 231.099158 153.5
[M-H]- 207.102664 150.4
[M+NH4]+ 226.143763 165.9
[M+K]+ 247.073098 152.9
[M+H-H2O]+ 191.107200 141.0
[M+HCOO]- 253.108141 168.8
[M+CH3COO]- 267.123791 184.7
[M+Na-2H]- 229.084606 152.9
[M]+ 208.10939142 150.1
[M]- 208.11048858 150.1
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