CID 75476795

1-(3-aminophenyl)-n,n-dimethyl-1h-1,2,4-triazol-3-amine

Structural Information

Molecular Formula
C10H13N5
SMILES
CN(C)C1=NN(C=N1)C2=CC=CC(=C2)N
InChI
InChI=1S/C10H13N5/c1-14(2)10-12-7-15(13-10)9-5-3-4-8(11)6-9/h3-7H,11H2,1-2H3
InChIKey
KVDFCEKYWDVOHW-UHFFFAOYSA-N
Compound name
1-(3-aminophenyl)-N,N-dimethyl-1,2,4-triazol-3-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

203.1171 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 204.12438 144.0
[M+Na]+ 226.10632 152.7
[M-H]- 202.10982 148.5
[M+NH4]+ 221.15092 160.8
[M+K]+ 242.08026 150.3
[M+H-H2O]+ 186.11436 134.5
[M+HCOO]- 248.11530 168.6
[M+CH3COO]- 262.13095 192.9
[M+Na-2H]- 224.09177 149.5
[M]+ 203.11655 143.7
[M]- 203.11765 143.7
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.