CID 3060558

Wp162

Structural Information

Molecular Formula
C7H17N6PS
SMILES
CC1=NN(C(=N1)N)P(=S)(N(C)C)N(C)C
InChI
InChI=1S/C7H17N6PS/c1-6-9-7(8)13(10-6)14(15,11(2)3)12(4)5/h1-5H3,(H2,8,9,10)
InChIKey
YGYWOCUHDPKAAD-UHFFFAOYSA-N
Compound name
2-[bis(dimethylamino)phosphinothioyl]-5-methyl-1,2,4-triazol-3-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

248.0973 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 249.10458 153.2
[M+Na]+ 271.08652 160.8
[M-H]- 247.09002 155.1
[M+NH4]+ 266.13112 169.9
[M+K]+ 287.06046 160.6
[M+H-H2O]+ 231.09456 142.6
[M+HCOO]- 293.09550 177.1
[M+CH3COO]- 307.11115 207.0
[M+Na-2H]- 269.07197 151.7
[M]+ 248.09675 156.3
[M]- 248.09785 156.3
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.