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 136.4
[M+Na]+ 201.08860 145.9
[M-H]- 177.09210 140.9
[M+NH4]+ 196.13320 160.1
[M+K]+ 217.06254 144.2
[M+H-H2O]+ 161.09664 132.4
[M+HCOO]- 223.09758 157.7
[M+CH3COO]- 237.11323 178.3
[M+Na-2H]- 199.07405 143.7
[M]+ 178.09883 137.9
[M]- 178.09993 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