CID 141040

N-phenyl-1h-1,2,3,4-tetrazol-5-amine

Structural Information

Molecular Formula
C7H7N5
SMILES
C1=CC=C(C=C1)NC2=NNN=N2
InChI
InChI=1S/C7H7N5/c1-2-4-6(5-3-1)8-7-9-11-12-10-7/h1-5H,(H2,8,9,10,11,12)
InChIKey
JJGVUQXLNNGWPZ-UHFFFAOYSA-N
Compound name
N-phenyl-2H-tetrazol-5-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

99
Patents

161.07014 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 162.07742 130.4
[M+Na]+ 184.05936 138.8
[M-H]- 160.06286 130.7
[M+NH4]+ 179.10396 146.1
[M+K]+ 200.03330 135.2
[M+H-H2O]+ 144.06740 120.9
[M+HCOO]- 206.06834 152.1
[M+CH3COO]- 220.08399 142.7
[M+Na-2H]- 182.04481 139.8
[M]+ 161.06959 127.4
[M]- 161.07069 127.4
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