CID 440214

Chebi:58042

Structural Information

Molecular Formula
C4H12N3O4P
SMILES
COP(=O)(O)OCCN=C(N)N
InChI
InChI=1S/C4H12N3O4P/c1-10-12(8,9)11-3-2-7-4(5)6/h2-3H2,1H3,(H,8,9)(H4,5,6,7)
InChIKey
PTALSLHNZQRENZ-UHFFFAOYSA-N
Compound name
2-(diaminomethylideneamino)ethyl methyl hydrogen phosphate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

197.05655 Da
Monoisotopic Mass

-2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 198.06383 139.9
[M+Na]+ 220.04577 145.2
[M-H]- 196.04927 138.1
[M+NH4]+ 215.09037 158.0
[M+K]+ 236.01971 146.2
[M+H-H2O]+ 180.05381 131.8
[M+HCOO]- 242.05475 169.8
[M+CH3COO]- 256.07040 188.8
[M+Na-2H]- 218.03122 142.7
[M]+ 197.05600 140.3
[M]- 197.05710 140.3
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.