CID 82758844

(1s)-1-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)ethan-1-ol

Structural Information

Molecular Formula
C11H14O2
SMILES
CC1CC2=C(O1)C=CC(=C2)[C@H](C)O
InChI
InChI=1S/C11H14O2/c1-7-5-10-6-9(8(2)12)3-4-11(10)13-7/h3-4,6-8,12H,5H2,1-2H3/t7?,8-/m0/s1
InChIKey
AWTLQROWORGMKX-MQWKRIRWSA-N
Compound name
(1S)-1-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

178.09938 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 179.10666 137.8
[M+Na]+ 201.08860 145.9
[M-H]- 177.09210 141.9
[M+NH4]+ 196.13320 159.2
[M+K]+ 217.06254 144.6
[M+H-H2O]+ 161.09664 133.2
[M+HCOO]- 223.09758 157.9
[M+CH3COO]- 237.11323 179.6
[M+Na-2H]- 199.07405 142.5
[M]+ 178.09883 138.3
[M]- 178.09993 138.3
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.