CID 15278

1563-38-8

Structural Information

Molecular Formula
C10H12O2
SMILES
CC1(CC2=C(O1)C(=CC=C2)O)C
InChI
InChI=1S/C10H12O2/c1-10(2)6-7-4-3-5-8(11)9(7)12-10/h3-5,11H,6H2,1-2H3
InChIKey
WJGPNUBJBMCRQH-UHFFFAOYSA-N
Compound name
2,2-dimethyl-3H-1-benzofuran-7-ol
Related CIDs

2D Structure

compound 2d structure
7
Annotation Hits

15
References

1770
Patents

164.08372 Da
Monoisotopic Mass

2.1
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

literature stripe

Patent stripe

patents stripe