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]+ 241.108376 153.1
[M+Na]+ 263.090318 163.6
[M-H]- 239.093824 153.6
[M+NH4]+ 258.134923 166.8
[M+K]+ 279.064258 157.0
[M+H-H2O]+ 223.098360 143.7
[M+HCOO]- 285.099301 171.7
[M+CH3COO]- 299.114951 164.4
[M+Na-2H]- 261.075766 160.6
[M]+ 240.10055142 153.4
[M]- 240.10164858 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.