CID 3060874

Wp165

Structural Information

Molecular Formula
C10H21N6O3P
SMILES
CCCOC(=O)C1=NN(C(=N1)N)P(=O)(N(C)C)N(C)C
InChI
InChI=1S/C10H21N6O3P/c1-6-7-19-9(17)8-12-10(11)16(13-8)20(18,14(2)3)15(4)5/h6-7H2,1-5H3,(H2,11,12,13)
InChIKey
HVRLLHWOMFXADV-UHFFFAOYSA-N
Compound name
propyl 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

304.14127 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 305.14855 168.9
[M+Na]+ 327.13049 174.5
[M-H]- 303.13399 170.5
[M+NH4]+ 322.17509 182.5
[M+K]+ 343.10443 176.5
[M+H-H2O]+ 287.13853 157.8
[M+HCOO]- 349.13947 196.8
[M+CH3COO]- 363.15512 218.0
[M+Na-2H]- 325.11594 168.5
[M]+ 304.14072 174.0
[M]- 304.14182 174.0
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.