CID 3068344

Fce 20518

Structural Information

Molecular Formula
C15H11NO2
SMILES
C1=CC=C2C(=C1)C3=CC=CC=C3OC2(CO)C#N
InChI
InChI=1S/C15H11NO2/c16-9-15(10-17)13-7-3-1-5-11(13)12-6-2-4-8-14(12)18-15/h1-8,17H,10H2
InChIKey
YRQOYAJWVWIEHN-UHFFFAOYSA-N
Compound name
6-(hydroxymethyl)benzo[c]chromene-6-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

237.07898 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 238.08626 155.4
[M+Na]+ 260.06820 168.0
[M-H]- 236.07170 159.5
[M+NH4]+ 255.11280 173.4
[M+K]+ 276.04214 160.4
[M+H-H2O]+ 220.07624 142.8
[M+HCOO]- 282.07718 171.2
[M+CH3COO]- 296.09283 166.7
[M+Na-2H]- 258.05365 164.5
[M]+ 237.07843 151.1
[M]- 237.07953 151.1
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

patents stripe