CID 3084913

50262-55-0

Structural Information

Molecular Formula
C11H12O4
SMILES
CCCOC(=O)OC1=CC=C(C=C1)C=O
InChI
InChI=1S/C11H12O4/c1-2-7-14-11(13)15-10-5-3-9(8-12)4-6-10/h3-6,8H,2,7H2,1H3
InChIKey
KMBHHVRNNCMBLK-UHFFFAOYSA-N
Compound name
(4-formylphenyl) propyl carbonate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

208.07356 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 209.08084 142.9
[M+Na]+ 231.06278 150.7
[M-H]- 207.06628 146.7
[M+NH4]+ 226.10738 161.9
[M+K]+ 247.03672 149.8
[M+H-H2O]+ 191.07082 136.7
[M+HCOO]- 253.07176 167.2
[M+CH3COO]- 267.08741 184.4
[M+Na-2H]- 229.04823 148.2
[M]+ 208.07301 147.6
[M]- 208.07411 147.6
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.