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 161.4
[M+Na]+ 283.14068 167.5
[M-H]- 259.14418 163.1
[M+NH4]+ 278.18528 177.0
[M+K]+ 299.11462 169.1
[M+H-H2O]+ 243.14872 150.6
[M+HCOO]- 305.14966 189.0
[M+CH3COO]- 319.16531 212.3
[M+Na-2H]- 281.12613 160.8
[M]+ 260.15091 164.2
[M]- 260.15201 164.2
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.