CID 598865

2-(naphthalen-2-yl)propan-2-ol

Structural Information

Molecular Formula
C13H14O
SMILES
CC(C)(C1=CC2=CC=CC=C2C=C1)O
InChI
InChI=1S/C13H14O/c1-13(2,14)12-8-7-10-5-3-4-6-11(10)9-12/h3-9,14H,1-2H3
InChIKey
CSONNHKIVVSLQQ-UHFFFAOYSA-N
Compound name
2-naphthalen-2-ylpropan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

250
Patents

186.10446 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 187.111736 140.1
[M+Na]+ 209.093678 148.3
[M-H]- 185.097184 143.6
[M+NH4]+ 204.138283 160.7
[M+K]+ 225.067618 144.7
[M+H-H2O]+ 169.101720 134.9
[M+HCOO]- 231.102661 160.5
[M+CH3COO]- 245.118311 181.7
[M+Na-2H]- 207.079126 149.1
[M]+ 186.10391142 139.8
[M]- 186.10500858 139.8
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