CID 3085184

Procromil

Structural Information

Molecular Formula
C17H18O4
SMILES
CCCC1=C2CCCCC2=CC3=C1OC(=CC3=O)C(=O)O
InChI
InChI=1S/C17H18O4/c1-2-5-12-11-7-4-3-6-10(11)8-13-14(18)9-15(17(19)20)21-16(12)13/h8-9H,2-7H2,1H3,(H,19,20)
InChIKey
DLKZWVIRKURGIR-UHFFFAOYSA-N
Compound name
4-oxo-10-propyl-6,7,8,9-tetrahydrobenzo[g]chromene-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

45
Patents

286.1205 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 287.12778 162.7
[M+Na]+ 309.10972 170.6
[M-H]- 285.11322 167.3
[M+NH4]+ 304.15432 178.7
[M+K]+ 325.08366 167.6
[M+H-H2O]+ 269.11776 155.8
[M+HCOO]- 331.11870 178.9
[M+CH3COO]- 345.13435 201.4
[M+Na-2H]- 307.09517 167.5
[M]+ 286.11995 164.1
[M]- 286.12105 164.1
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.