CID 97102716

[(3s)-3,4-dihydro-1h-2-benzopyran-3-yl]methanol

Structural Information

Molecular Formula
C10H12O2
SMILES
C1[C@H](OCC2=CC=CC=C21)CO
InChI
InChI=1S/C10H12O2/c11-6-10-5-8-3-1-2-4-9(8)7-12-10/h1-4,10-11H,5-7H2/t10-/m0/s1
InChIKey
FCNRRGSWSVZQKB-JTQLQIEISA-N
Compound name
[(3S)-3,4-dihydro-1H-isochromen-3-yl]methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

164.08372 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 165.09100 131.8
[M+Na]+ 187.07294 138.7
[M-H]- 163.07644 135.4
[M+NH4]+ 182.11754 151.6
[M+K]+ 203.04688 137.4
[M+H-H2O]+ 147.08098 126.3
[M+HCOO]- 209.08192 151.1
[M+CH3COO]- 223.09757 174.9
[M+Na-2H]- 185.05839 140.6
[M]+ 164.08317 130.0
[M]- 164.08427 130.0
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

No patent data available for this compound.