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 151.7
[M+Na]+ 256.09338 158.6
[M-H]- 232.09688 151.5
[M+NH4]+ 251.13798 167.7
[M+K]+ 272.06732 159.1
[M+H-H2O]+ 216.10142 141.0
[M+HCOO]- 278.10236 179.6
[M+CH3COO]- 292.11801 197.9
[M+Na-2H]- 254.07883 154.1
[M]+ 233.10361 154.8
[M]- 233.10471 154.8
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.