CID 54676406

Bdbm1932

Structural Information

Molecular Formula
C19H16O3
SMILES
C1CC1C(C2=CC=CC=C2)C3=C(C4=CC=CC=C4OC3=O)O
InChI
InChI=1S/C19H16O3/c20-18-14-8-4-5-9-15(14)22-19(21)17(18)16(13-10-11-13)12-6-2-1-3-7-12/h1-9,13,16,20H,10-11H2
InChIKey
ZOYPQZASFVMBOQ-UHFFFAOYSA-N
Compound name
3-[cyclopropyl(phenyl)methyl]-4-hydroxychromen-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

6
Patents

292.10995 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 293.11723 161.9
[M+Na]+ 315.09917 171.7
[M-H]- 291.10267 172.6
[M+NH4]+ 310.14377 171.6
[M+K]+ 331.07311 167.9
[M+H-H2O]+ 275.10721 153.8
[M+HCOO]- 337.10815 182.2
[M+CH3COO]- 351.12380 173.8
[M+Na-2H]- 313.08462 167.9
[M]+ 292.10940 165.3
[M]- 292.11050 165.3
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