CID 571640

4-(1h-1,2,3,4-tetrazol-1-yl)aniline

Structural Information

Molecular Formula
C7H7N5
SMILES
C1=CC(=CC=C1N)N2C=NN=N2
InChI
InChI=1S/C7H7N5/c8-6-1-3-7(4-2-6)12-5-9-10-11-12/h1-5H,8H2
InChIKey
JRRAUWWVBVECPY-UHFFFAOYSA-N
Compound name
4-(tetrazol-1-yl)aniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

190
Patents

161.07014 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 162.07742 131.1
[M+Na]+ 184.05936 141.0
[M-H]- 160.06286 132.7
[M+NH4]+ 179.10396 147.6
[M+K]+ 200.03330 137.8
[M+H-H2O]+ 144.06740 121.7
[M+HCOO]- 206.06834 153.7
[M+CH3COO]- 220.08399 144.2
[M+Na-2H]- 182.04481 139.1
[M]+ 161.06959 129.3
[M]- 161.07069 129.3
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