CID 285158

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

Structural Information

Molecular Formula
C8H9N5
SMILES
CNC1=NN=NN1C2=CC=CC=C2
InChI
InChI=1S/C8H9N5/c1-9-8-10-11-12-13(8)7-5-3-2-4-6-7/h2-6H,1H3,(H,9,10,12)
InChIKey
MQOMEVCMWBFMBO-UHFFFAOYSA-N
Compound name
N-methyl-1-phenyltetrazol-5-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

11
Patents

175.0858 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 176.09308 135.3
[M+Na]+ 198.07502 144.7
[M-H]- 174.07852 137.2
[M+NH4]+ 193.11962 151.5
[M+K]+ 214.04896 141.6
[M+H-H2O]+ 158.08306 125.6
[M+HCOO]- 220.08400 158.2
[M+CH3COO]- 234.09965 148.2
[M+Na-2H]- 196.06047 143.7
[M]+ 175.08525 134.8
[M]- 175.08635 134.8
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