CID 4420807

Ethyl 3,5-xylyl carbonate

Structural Information

Molecular Formula
C11H14O3
SMILES
CCOC(=O)OC1=CC(=CC(=C1)C)C
InChI
InChI=1S/C11H14O3/c1-4-13-11(12)14-10-6-8(2)5-9(3)7-10/h5-7H,4H2,1-3H3
InChIKey
WEUBQPZGDAHPLO-UHFFFAOYSA-N
Compound name
(3,5-dimethylphenyl) ethyl carbonate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

18
Patents

194.0943 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 195.10158 140.4
[M+Na]+ 217.08352 149.0
[M-H]- 193.08702 144.6
[M+NH4]+ 212.12812 160.6
[M+K]+ 233.05746 148.2
[M+H-H2O]+ 177.09156 134.8
[M+HCOO]- 239.09250 164.3
[M+CH3COO]- 253.10815 184.3
[M+Na-2H]- 215.06897 145.1
[M]+ 194.09375 144.8
[M]- 194.09485 144.8
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