CID 3054067

Brn 1128358

Structural Information

Molecular Formula
C13H12N4O
SMILES
C1=CC=C2C(=C1)C=CC=C2OCCC3=NNN=N3
InChI
InChI=1S/C13H12N4O/c1-2-6-11-10(4-1)5-3-7-12(11)18-9-8-13-14-16-17-15-13/h1-7H,8-9H2,(H,14,15,16,17)
InChIKey
DXTJQLOHZZWADY-UHFFFAOYSA-N
Compound name
5-(2-naphthalen-1-yloxyethyl)-2H-tetrazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

240.1011 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 241.108376 152.0
[M+Na]+ 263.090318 161.9
[M-H]- 239.093824 153.3
[M+NH4]+ 258.134923 165.9
[M+K]+ 279.064258 156.2
[M+H-H2O]+ 223.098360 141.9
[M+HCOO]- 285.099301 172.0
[M+CH3COO]- 299.114951 163.5
[M+Na-2H]- 261.075766 160.6
[M]+ 240.10055142 153.6
[M]- 240.10164858 153.6
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

patents stripe