CID 3061037

Wp252

Structural Information

Molecular Formula
C10H23N6OP
SMILES
CC(C)CC1=NN(C(=N1)N)P(=O)(N(C)C)N(C)C
InChI
InChI=1S/C10H23N6OP/c1-8(2)7-9-12-10(11)16(13-9)18(17,14(3)4)15(5)6/h8H,7H2,1-6H3,(H2,11,12,13)
InChIKey
SNZZBXNWVRPQCC-UHFFFAOYSA-N
Compound name
2-[bis(dimethylamino)phosphoryl]-5-(2-methylpropyl)-1,2,4-triazol-3-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

274.16708 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 275.17436 163.7
[M+Na]+ 297.15630 169.5
[M+NH4]+ 292.20090 167.8
[M+K]+ 313.13024 170.1
[M-H]- 273.15980 162.8
[M+Na-2H]- 295.14175 165.7
[M]+ 274.16653 163.6
[M]- 274.16763 163.6
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.