CID 3057066

S-triazine, 2-amino-4-anilino-, hydrochloride

Structural Information

Molecular Formula
C3H6N6
SMILES
C1=NC(=NC(=N1)NN)N
InChI
InChI=1S/C3H6N6/c4-2-6-1-7-3(8-2)9-5/h1H,5H2,(H3,4,6,7,8,9)
InChIKey
NOTYRPPWMLDEIO-UHFFFAOYSA-N
Compound name
4-hydrazinyl-1,3,5-triazin-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

126.06539 Da
Monoisotopic Mass

-0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 127.072666 122.1
[M+Na]+ 149.054608 130.8
[M-H]- 125.058114 121.6
[M+NH4]+ 144.099213 139.0
[M+K]+ 165.028548 128.8
[M+H-H2O]+ 109.062650 114.1
[M+HCOO]- 171.063591 146.6
[M+CH3COO]- 185.079241 176.2
[M+Na-2H]- 147.040056 132.1
[M]+ 126.06484142 117.7
[M]- 126.06593858 117.7
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

patents stripe