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]+ 209.080836 142.9
[M+Na]+ 231.062778 150.7
[M-H]- 207.066284 146.7
[M+NH4]+ 226.107383 161.9
[M+K]+ 247.036718 149.8
[M+H-H2O]+ 191.070820 136.7
[M+HCOO]- 253.071761 167.2
[M+CH3COO]- 267.087411 184.4
[M+Na-2H]- 229.048226 148.2
[M]+ 208.07301142 147.6
[M]- 208.07410858 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.