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 153.1
[M+Na]+ 263.09032 163.6
[M-H]- 239.09382 153.6
[M+NH4]+ 258.13492 166.8
[M+K]+ 279.06426 157.0
[M+H-H2O]+ 223.09836 143.7
[M+HCOO]- 285.09930 171.7
[M+CH3COO]- 299.11495 164.4
[M+Na-2H]- 261.07577 160.6
[M]+ 240.10055 153.4
[M]- 240.10165 153.4
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.