CID 51886735

(1r)-1-(3-methyl-1-benzofuran-2-yl)ethan-1-ol

Structural Information

Molecular Formula
C11H12O2
SMILES
CC1=C(OC2=CC=CC=C12)[C@@H](C)O
InChI
InChI=1S/C11H12O2/c1-7-9-5-3-4-6-10(9)13-11(7)8(2)12/h3-6,8,12H,1-2H3/t8-/m1/s1
InChIKey
HHTGFYRSBJVIAW-MRVPVSSYSA-N
Compound name
(1R)-1-(3-methyl-1-benzofuran-2-yl)ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

176.08372 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 177.09100 134.9
[M+Na]+ 199.07294 145.2
[M-H]- 175.07644 139.9
[M+NH4]+ 194.11754 156.7
[M+K]+ 215.04688 143.5
[M+H-H2O]+ 159.08098 130.4
[M+HCOO]- 221.08192 158.0
[M+CH3COO]- 235.09757 179.0
[M+Na-2H]- 197.05839 141.6
[M]+ 176.08317 138.4
[M]- 176.08427 138.4
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.