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]+ 331.154006 174.9
[M+Na]+ 353.135948 181.2
[M-H]- 329.139454 180.1
[M+NH4]+ 348.180553 189.4
[M+K]+ 369.109888 179.3
[M+H-H2O]+ 313.143990 166.8
[M+HCOO]- 375.144931 192.1
[M+CH3COO]- 389.160581 210.0
[M+Na-2H]- 351.121396 179.8
[M]+ 330.14618142 179.6
[M]- 330.14727858 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.