CID 3060872

Wp153

Structural Information

Molecular Formula
C9H19N6O3P
SMILES
CCOC(=O)C1=NN(C(=N1)N)P(=O)(N(C)C)N(C)C
InChI
InChI=1S/C9H19N6O3P/c1-6-18-8(16)7-11-9(10)15(12-7)19(17,13(2)3)14(4)5/h6H2,1-5H3,(H2,10,11,12)
InChIKey
OBIMULOFPGFSBH-UHFFFAOYSA-N
Compound name
ethyl 5-amino-1-[bis(dimethylamino)phosphoryl]-1,2,4-triazole-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

290.1256 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 291.13288 164.3
[M+Na]+ 313.11482 170.3
[M-H]- 289.11832 166.0
[M+NH4]+ 308.15942 178.4
[M+K]+ 329.08876 172.5
[M+H-H2O]+ 273.12286 153.3
[M+HCOO]- 335.12380 192.5
[M+CH3COO]- 349.13945 215.1
[M+Na-2H]- 311.10027 164.3
[M]+ 290.12505 169.0
[M]- 290.12615 169.0
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.