CID 13616455

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

Structural Information

Molecular Formula
C10H12O2
SMILES
C1COC2=CC=CC=C2C1CO
InChI
InChI=1S/C10H12O2/c11-7-8-5-6-12-10-4-2-1-3-9(8)10/h1-4,8,11H,5-7H2
InChIKey
JCIBYIVDOVFNJS-UHFFFAOYSA-N
Compound name
3,4-dihydro-2H-chromen-4-ylmethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

28
Patents

164.08372 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 165.09100 132.5
[M+Na]+ 187.07294 145.8
[M+NH4]+ 182.11754 142.3
[M+K]+ 203.04688 139.1
[M-H]- 163.07644 136.6
[M+Na-2H]- 185.05839 138.7
[M]+ 164.08317 135.6
[M]- 164.08427 135.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

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Patent stripe

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