CID 59218473

1012070-16-4

Structural Information

Molecular Formula
C11H14O2
SMILES
CC1(COC2=C1C=C(C=C2)CO)C
InChI
InChI=1S/C11H14O2/c1-11(2)7-13-10-4-3-8(6-12)5-9(10)11/h3-5,12H,6-7H2,1-2H3
InChIKey
DPKIBMTWPZLAHH-UHFFFAOYSA-N
Compound name
(3,3-dimethyl-2H-1-benzofuran-5-yl)methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
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 136.5
[M+Na]+ 201.08860 149.0
[M+NH4]+ 196.13320 147.4
[M+K]+ 217.06254 142.8
[M-H]- 177.09210 139.9
[M+Na-2H]- 199.07405 142.7
[M]+ 178.09883 139.5
[M]- 178.09993 139.5
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