CID 3060548

Wp148

Structural Information

Molecular Formula
C8H19N6OP
SMILES
CCC1=NN(C(=N1)N)P(=O)(N(C)C)N(C)C
InChI
InChI=1S/C8H19N6OP/c1-6-7-10-8(9)14(11-7)16(15,12(2)3)13(4)5/h6H2,1-5H3,(H2,9,10,11)
InChIKey
MYKCGLIXRKAJLJ-UHFFFAOYSA-N
Compound name
2-[bis(dimethylamino)phosphoryl]-5-ethyl-1,2,4-triazol-3-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

246.1358 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 247.14308 156.9
[M+Na]+ 269.12502 163.6
[M-H]- 245.12852 158.5
[M+NH4]+ 264.16962 173.0
[M+K]+ 285.09896 164.8
[M+H-H2O]+ 229.13306 146.0
[M+HCOO]- 291.13400 185.7
[M+CH3COO]- 305.14965 208.5
[M+Na-2H]- 267.11047 157.8
[M]+ 246.13525 159.8
[M]- 246.13635 159.8
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.