CID 3060478

78149-98-1

Structural Information

Molecular Formula
C6H14N5O2P
SMILES
CCOP(=O)(N1C(=NC=N1)N)N(C)C
InChI
InChI=1S/C6H14N5O2P/c1-4-13-14(12,10(2)3)11-6(7)8-5-9-11/h5H,4H2,1-3H3,(H2,7,8,9)
InChIKey
YGGVFWMXBPULRR-UHFFFAOYSA-N
Compound name
2-[dimethylamino(ethoxy)phosphoryl]-1,2,4-triazol-3-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

219.08852 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 220.09580 147.1
[M+Na]+ 242.07774 154.4
[M-H]- 218.08124 147.0
[M+NH4]+ 237.12234 163.6
[M+K]+ 258.05168 155.2
[M+H-H2O]+ 202.08578 136.6
[M+HCOO]- 264.08672 175.3
[M+CH3COO]- 278.10237 194.9
[M+Na-2H]- 240.06319 149.9
[M]+ 219.08797 149.8
[M]- 219.08907 149.8
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.