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]+ 204.124376 144.0
[M+Na]+ 226.106318 152.7
[M-H]- 202.109824 148.5
[M+NH4]+ 221.150923 160.8
[M+K]+ 242.080258 150.3
[M+H-H2O]+ 186.114360 134.5
[M+HCOO]- 248.115301 168.6
[M+CH3COO]- 262.130951 192.9
[M+Na-2H]- 224.091766 149.5
[M]+ 203.11655142 143.7
[M]- 203.11764858 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.