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

7
Patents

178.09938 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 179.106656 136.4
[M+Na]+ 201.088598 145.9
[M-H]- 177.092104 140.9
[M+NH4]+ 196.133203 160.1
[M+K]+ 217.062538 144.2
[M+H-H2O]+ 161.096640 132.4
[M+HCOO]- 223.097581 157.7
[M+CH3COO]- 237.113231 178.3
[M+Na-2H]- 199.074046 143.7
[M]+ 178.09883142 137.9
[M]- 178.09992858 137.9
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