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]+ 287.127776 162.7
[M+Na]+ 309.109718 170.6
[M-H]- 285.113224 167.3
[M+NH4]+ 304.154323 178.7
[M+K]+ 325.083658 167.6
[M+H-H2O]+ 269.117760 155.8
[M+HCOO]- 331.118701 178.9
[M+CH3COO]- 345.134351 201.4
[M+Na-2H]- 307.095166 167.5
[M]+ 286.11995142 164.1
[M]- 286.12104858 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

literature stripe

Patent stripe

patents stripe