CID 12298470

3-(tert-butyl)naphthalen-2-ol

Structural Information

Molecular Formula
C14H16O
SMILES
CC(C)(C)C1=CC2=CC=CC=C2C=C1O
InChI
InChI=1S/C14H16O/c1-14(2,3)12-8-10-6-4-5-7-11(10)9-13(12)15/h4-9,15H,1-3H3
InChIKey
QDJWFVOKZOKEQH-UHFFFAOYSA-N
Compound name
3-tert-butylnaphthalen-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

68
Patents

200.12012 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 201.12740 144.6
[M+Na]+ 223.10934 153.3
[M-H]- 199.11284 148.3
[M+NH4]+ 218.15394 165.0
[M+K]+ 239.08328 149.6
[M+H-H2O]+ 183.11738 139.5
[M+HCOO]- 245.11832 164.6
[M+CH3COO]- 259.13397 185.2
[M+Na-2H]- 221.09479 152.3
[M]+ 200.11957 144.9
[M]- 200.12067 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

literature stripe

Patent stripe

patents stripe