CID 54761596

6-(hydroxymethyl)-4-phenyl-3,4-dihydro-2h-chromen-2-ol

Structural Information

Molecular Formula
C16H16O3
SMILES
C1C(C2=C(C=CC(=C2)CO)OC1O)C3=CC=CC=C3
InChI
InChI=1S/C16H16O3/c17-10-11-6-7-15-14(8-11)13(9-16(18)19-15)12-4-2-1-3-5-12/h1-8,13,16-18H,9-10H2
InChIKey
DRPFJHGJDRIHLZ-UHFFFAOYSA-N
Compound name
6-(hydroxymethyl)-4-phenyl-3,4-dihydro-2H-chromen-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

39
Patents

256.10995 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 257.11723 156.6
[M+Na]+ 279.09917 163.6
[M-H]- 255.10267 162.2
[M+NH4]+ 274.14377 171.9
[M+K]+ 295.07311 160.1
[M+H-H2O]+ 239.10721 149.4
[M+HCOO]- 301.10815 174.0
[M+CH3COO]- 315.12380 168.1
[M+Na-2H]- 277.08462 162.6
[M]+ 256.10940 154.8
[M]- 256.11050 154.8
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