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]+ 221.153606 149.6
[M+Na]+ 243.135548 159.2
[M-H]- 219.139054 154.3
[M+NH4]+ 238.180153 172.1
[M+K]+ 259.109488 157.4
[M+H-H2O]+ 203.143590 146.2
[M+HCOO]- 265.144531 168.2
[M+CH3COO]- 279.160181 188.3
[M+Na-2H]- 241.120996 155.6
[M]+ 220.14578142 152.1
[M]- 220.14687858 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