CID 9834318

Kpxowqoqjkgyrn-uhfffaoysa-m

Structural Information

Molecular Formula
C4H10N3O5P
SMILES
CN(CC(=O)OP(=O)(O)O)C(=N)N
InChI
InChI=1S/C4H10N3O5P/c1-7(4(5)6)2-3(8)12-13(9,10)11/h2H2,1H3,(H3,5,6)(H2,9,10,11)
InChIKey
KPXOWQOQJKGYRN-UHFFFAOYSA-N
Compound name
phosphono 2-[carbamimidoyl(methyl)amino]acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

9187
Patents

211.03581 Da
Monoisotopic Mass

-2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 212.043086 141.8
[M+Na]+ 234.025028 146.5
[M-H]- 210.028534 139.4
[M+NH4]+ 229.069633 158.7
[M+K]+ 249.998968 148.1
[M+H-H2O]+ 194.033070 134.0
[M+HCOO]- 256.034011 169.3
[M+CH3COO]- 270.049661 189.5
[M+Na-2H]- 232.010476 142.9
[M]+ 211.03526142 140.7
[M]- 211.03635858 140.7
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

patents stripe