CID 19809558

1,3-dihydro-2-benzofuran-5-ylmethanol

Structural Information

Molecular Formula
C9H10O2
SMILES
C1C2=C(CO1)C=C(C=C2)CO
InChI
InChI=1S/C9H10O2/c10-4-7-1-2-8-5-11-6-9(8)3-7/h1-3,10H,4-6H2
InChIKey
VPKXUXMJVPZFBB-UHFFFAOYSA-N
Compound name
1,3-dihydro-2-benzofuran-5-ylmethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

73
Patents

150.06808 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 151.07536 128.2
[M+Na]+ 173.05730 140.5
[M+NH4]+ 168.10190 137.8
[M+K]+ 189.03124 136.3
[M-H]- 149.06080 131.5
[M+Na-2H]- 171.04275 133.5
[M]+ 150.06753 130.8
[M]- 150.06863 130.8
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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