CID 1637839

313471-12-4

Structural Information

Molecular Formula
C19H22O5
SMILES
CCCCOC(=O)COC1=CC2=C(C=C1)C3=C(CCCC3)C(=O)O2
InChI
InChI=1S/C19H22O5/c1-2-3-10-22-18(20)12-23-13-8-9-15-14-6-4-5-7-16(14)19(21)24-17(15)11-13/h8-9,11H,2-7,10,12H2,1H3
InChIKey
ABUJHLJWWDPIEW-UHFFFAOYSA-N
Compound name
butyl 2-[(6-oxo-7,8,9,10-tetrahydrobenzo[c]chromen-3-yl)oxy]acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

330.14673 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 331.15401 174.9
[M+Na]+ 353.13595 181.2
[M-H]- 329.13945 180.1
[M+NH4]+ 348.18055 189.4
[M+K]+ 369.10989 179.3
[M+H-H2O]+ 313.14399 166.8
[M+HCOO]- 375.14493 192.1
[M+CH3COO]- 389.16058 210.0
[M+Na-2H]- 351.12140 179.8
[M]+ 330.14618 179.6
[M]- 330.14728 179.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.