CID 21485219

3,3-dimethyl-2,3-dihydro-1-benzofuran-6-ol

Structural Information

Molecular Formula
C10H12O2
SMILES
CC1(COC2=C1C=CC(=C2)O)C
InChI
InChI=1S/C10H12O2/c1-10(2)6-12-9-5-7(11)3-4-8(9)10/h3-5,11H,6H2,1-2H3
InChIKey
KNDBEMPTKKKYOJ-UHFFFAOYSA-N
Compound name
3,3-dimethyl-2H-1-benzofuran-6-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

51
Patents

164.08372 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 165.090996 131.7
[M+Na]+ 187.072938 141.6
[M-H]- 163.076444 136.4
[M+NH4]+ 182.117543 155.9
[M+K]+ 203.046878 140.2
[M+H-H2O]+ 147.080980 127.9
[M+HCOO]- 209.081921 153.2
[M+CH3COO]- 223.097571 175.2
[M+Na-2H]- 185.058386 139.5
[M]+ 164.08317142 132.8
[M]- 164.08426858 132.8
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