CID 2795472

38002-89-0

Structural Information

Molecular Formula
C11H14O2
SMILES
CC1(CC2=C(O1)C(=CC=C2)CO)C
InChI
InChI=1S/C11H14O2/c1-11(2)6-8-4-3-5-9(7-12)10(8)13-11/h3-5,12H,6-7H2,1-2H3
InChIKey
LKFXMRFTJVYQMT-UHFFFAOYSA-N
Compound name
(2,2-dimethyl-3H-1-benzofuran-7-yl)methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

49
Patents

178.09938 Da
Monoisotopic Mass

1.7
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

literature stripe

Patent stripe

patents stripe