CID 71757764

N-methyl-4-phenyl-4h-1,2,4-triazol-3-amine hydroiodide

Structural Information

Molecular Formula
C9H10N4
SMILES
CNC1=NN=CN1C2=CC=CC=C2
InChI
InChI=1S/C9H10N4/c1-10-9-12-11-7-13(9)8-5-3-2-4-6-8/h2-7H,1H3,(H,10,12)
InChIKey
ANDYGBOQJUVFRF-UHFFFAOYSA-N
Compound name
N-methyl-4-phenyl-1,2,4-triazol-3-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

174.09055 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 175.097826 135.1
[M+Na]+ 197.079768 144.0
[M-H]- 173.083274 138.2
[M+NH4]+ 192.124373 152.7
[M+K]+ 213.053708 140.9
[M+H-H2O]+ 157.087810 126.0
[M+HCOO]- 219.088751 159.0
[M+CH3COO]- 233.104401 148.4
[M+Na-2H]- 195.065216 143.1
[M]+ 174.09000142 134.4
[M]- 174.09109858 134.4
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.