CID 3060555

Wp253

Structural Information

Molecular Formula
C9H21N6OP
SMILES
CCCC1=NN(C(=N1)N)P(=O)(N(C)C)N(C)C
InChI
InChI=1S/C9H21N6OP/c1-6-7-8-11-9(10)15(12-8)17(16,13(2)3)14(4)5/h6-7H2,1-5H3,(H2,10,11,12)
InChIKey
LTIVOKKFLGGJBJ-UHFFFAOYSA-N
Compound name
2-[bis(dimethylamino)phosphoryl]-5-propyl-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 161.5
[M+Na]+ 283.14068 167.8
[M-H]- 259.14418 163.0
[M+NH4]+ 278.18528 177.1
[M+K]+ 299.11462 168.8
[M+H-H2O]+ 243.14872 150.4
[M+HCOO]- 305.14966 190.0
[M+CH3COO]- 319.16531 211.5
[M+Na-2H]- 281.12613 161.9
[M]+ 260.15091 164.8
[M]- 260.15201 164.8
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.