CID 2776158

(2,3-dihydro-1-benzofuran-5-yl)methanol

Structural Information

Molecular Formula
C9H10O2
SMILES
C1COC2=C1C=C(C=C2)CO
InChI
InChI=1S/C9H10O2/c10-6-7-1-2-9-8(5-7)3-4-11-9/h1-2,5,10H,3-4,6H2
InChIKey
XQDNBMXUZGAWSZ-UHFFFAOYSA-N
Compound name
2,3-dihydro-1-benzofuran-5-ylmethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

108
Patents

150.06808 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 151.07536 127.8
[M+Na]+ 173.05730 136.2
[M-H]- 149.06080 131.8
[M+NH4]+ 168.10190 150.1
[M+K]+ 189.03124 134.9
[M+H-H2O]+ 133.06534 123.2
[M+HCOO]- 195.06628 149.7
[M+CH3COO]- 209.08193 171.5
[M+Na-2H]- 171.04275 135.6
[M]+ 150.06753 127.9
[M]- 150.06863 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

No literature data available for this compound.

Patent stripe

patents stripe