CID 591520

3,4-dihydro-2h-1-benzopyran-3-ol

Structural Information

Molecular Formula
C9H10O2
SMILES
C1C(COC2=CC=CC=C21)O
InChI
InChI=1S/C9H10O2/c10-8-5-7-3-1-2-4-9(7)11-6-8/h1-4,8,10H,5-6H2
InChIKey
HBLDKCGIBIGVPC-UHFFFAOYSA-N
Compound name
3,4-dihydro-2H-chromen-3-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

258
Patents

150.06808 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 151.07536 127.0
[M+Na]+ 173.05730 134.4
[M-H]- 149.06080 130.8
[M+NH4]+ 168.10190 147.4
[M+K]+ 189.03124 133.3
[M+H-H2O]+ 133.06534 121.7
[M+HCOO]- 195.06628 146.7
[M+CH3COO]- 209.08193 171.9
[M+Na-2H]- 171.04275 136.4
[M]+ 150.06753 124.9
[M]- 150.06863 124.9
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