CID 53461

1-(2-(1h-tetrazol-5-yl)ethyl)-2-naphthalenol

Structural Information

Molecular Formula
C13H12N4O
SMILES
C1=CC=C2C(=C1)C=CC(=C2CCC3=NNN=N3)O
InChI
InChI=1S/C13H12N4O/c18-12-7-5-9-3-1-2-4-10(9)11(12)6-8-13-14-16-17-15-13/h1-5,7,18H,6,8H2,(H,14,15,16,17)
InChIKey
OZQUQWUEFGRJOG-UHFFFAOYSA-N
Compound name
1-[2-(2H-tetrazol-5-yl)ethyl]naphthalen-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

240.1011 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 241.10838 153.5
[M+Na]+ 263.09032 168.8
[M+NH4]+ 258.13492 160.7
[M+K]+ 279.06426 163.5
[M-H]- 239.09382 155.3
[M+Na-2H]- 261.07577 161.9
[M]+ 240.10055 156.1
[M]- 240.10165 156.1
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

No patent data available for this compound.