CID 102002634

1,1-dimethyl-1,3-dihydro-2-benzofuran-5-ol

Structural Information

Molecular Formula
C10H12O2
SMILES
CC1(C2=C(CO1)C=C(C=C2)O)C
InChI
InChI=1S/C10H12O2/c1-10(2)9-4-3-8(11)5-7(9)6-12-10/h3-5,11H,6H2,1-2H3
InChIKey
KQGQBZMWWLQJCQ-UHFFFAOYSA-N
Compound name
1,1-dimethyl-3H-2-benzofuran-5-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

164.08372 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 165.09100 131.7
[M+Na]+ 187.07294 141.6
[M-H]- 163.07644 136.4
[M+NH4]+ 182.11754 155.9
[M+K]+ 203.04688 140.2
[M+H-H2O]+ 147.08098 127.9
[M+HCOO]- 209.08192 153.2
[M+CH3COO]- 223.09757 175.2
[M+Na-2H]- 185.05839 139.5
[M]+ 164.08317 132.8
[M]- 164.08427 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

No patent data available for this compound.