CID 3060479

78149-99-2

Structural Information

Molecular Formula
C7H16N5O2P
SMILES
CCCOP(=O)(N1C(=NC=N1)N)N(C)C
InChI
InChI=1S/C7H16N5O2P/c1-4-5-14-15(13,11(2)3)12-7(8)9-6-10-12/h6H,4-5H2,1-3H3,(H2,8,9,10)
InChIKey
ODUQESDLASJUKU-UHFFFAOYSA-N
Compound name
2-[dimethylamino(propoxy)phosphoryl]-1,2,4-triazol-3-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

233.10416 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 234.11144 150.4
[M+Na]+ 256.09338 157.4
[M+NH4]+ 251.13798 154.8
[M+K]+ 272.06732 157.2
[M-H]- 232.09688 148.6
[M+Na-2H]- 254.07883 153.3
[M]+ 233.10361 150.2
[M]- 233.10471 150.2
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.