CID 3017201

1-(1,1-dimethylethyl)-5,6,7,8-tetrahydro-2-naphthol

Structural Information

Molecular Formula
C14H20O
SMILES
CC(C)(C)C1=C(C=CC2=C1CCCC2)O
InChI
InChI=1S/C14H20O/c1-14(2,3)13-11-7-5-4-6-10(11)8-9-12(13)15/h8-9,15H,4-7H2,1-3H3
InChIKey
XTVWEFCNRUJNGI-UHFFFAOYSA-N
Compound name
1-tert-butyl-5,6,7,8-tetrahydronaphthalen-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

12
Patents

204.15141 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 205.158686 147.5
[M+Na]+ 227.140628 154.1
[M-H]- 203.144134 150.4
[M+NH4]+ 222.185233 167.5
[M+K]+ 243.114568 150.8
[M+H-H2O]+ 187.148670 142.4
[M+HCOO]- 249.149611 164.5
[M+CH3COO]- 263.165261 185.9
[M+Na-2H]- 225.126076 153.2
[M]+ 204.15086142 144.9
[M]- 204.15195858 144.9
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