CID 3060550

Wp154

Structural Information

Molecular Formula
C9H21N6OP
SMILES
CC(C)C1=NN(C(=N1)N)P(=O)(N(C)C)N(C)C
InChI
InChI=1S/C9H21N6OP/c1-7(2)8-11-9(10)15(12-8)17(16,13(3)4)14(5)6/h7H,1-6H3,(H2,10,11,12)
InChIKey
FNYRAJPQGQVFQF-UHFFFAOYSA-N
Compound name
2-[bis(dimethylamino)phosphoryl]-5-propan-2-yl-1,2,4-triazol-3-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

260.15146 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 261.15874 159.4
[M+Na]+ 283.14068 165.5
[M+NH4]+ 278.18528 163.7
[M+K]+ 299.11462 166.2
[M-H]- 259.14418 158.5
[M+Na-2H]- 281.12613 161.7
[M]+ 260.15091 159.3
[M]- 260.15201 159.3
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.