CID 19809558

89424-84-0

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

69
Patents

150.06808 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 151.075356 127.8
[M+Na]+ 173.057298 136.2
[M-H]- 149.060804 131.8
[M+NH4]+ 168.101903 150.1
[M+K]+ 189.031238 134.9
[M+H-H2O]+ 133.065340 123.2
[M+HCOO]- 195.066281 149.7
[M+CH3COO]- 209.081931 171.5
[M+Na-2H]- 171.042746 135.6
[M]+ 150.06753142 127.9
[M]- 150.06862858 127.9
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