CID 3022614

5-(tert-butyl)-2,3-dihydro-2,2-dimethylbenzofuran-7-ol

Structural Information

Molecular Formula
C14H20O2
SMILES
CC1(CC2=C(O1)C(=CC(=C2)C(C)(C)C)O)C
InChI
InChI=1S/C14H20O2/c1-13(2,3)10-6-9-8-14(4,5)16-12(9)11(15)7-10/h6-7,15H,8H2,1-5H3
InChIKey
DNTDBYLWMUNDRX-UHFFFAOYSA-N
Compound name
5-tert-butyl-2,2-dimethyl-3H-1-benzofuran-7-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

220.14633 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 221.15361 149.6
[M+Na]+ 243.13555 159.2
[M-H]- 219.13905 154.3
[M+NH4]+ 238.18015 172.1
[M+K]+ 259.10949 157.4
[M+H-H2O]+ 203.14359 146.2
[M+HCOO]- 265.14453 168.2
[M+CH3COO]- 279.16018 188.3
[M+Na-2H]- 241.12100 155.6
[M]+ 220.14578 152.1
[M]- 220.14688 152.1
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