CID 207236

Brn 0792967

Structural Information

Molecular Formula
C6H15N6OP
SMILES
CN(C)P(=O)(N1C(=NC=N1)N)N(C)C
InChI
InChI=1S/C6H15N6OP/c1-10(2)14(13,11(3)4)12-6(7)8-5-9-12/h5H,1-4H3,(H2,7,8,9)
InChIKey
UAGCSCJGEVIDEN-UHFFFAOYSA-N
Compound name
2-[bis(dimethylamino)phosphoryl]-1,2,4-triazol-3-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

218.10449 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 219.11177 147.3
[M+Na]+ 241.09371 154.0
[M-H]- 217.09721 148.9
[M+NH4]+ 236.13831 164.2
[M+K]+ 257.06765 155.7
[M+H-H2O]+ 201.10175 136.4
[M+HCOO]- 263.10269 176.8
[M+CH3COO]- 277.11834 201.2
[M+Na-2H]- 239.07916 149.9
[M]+ 218.10394 149.2
[M]- 218.10504 149.2
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.