CID 9571477

Nsc670094

Structural Information

Molecular Formula
C10H21N4O3P
SMILES
CCC(C)(/N=C(\N)/NC#N)P(=O)(OCC)OCC
InChI
InChI=1S/C10H21N4O3P/c1-5-10(4,14-9(12)13-8-11)18(15,16-6-2)17-7-3/h5-7H2,1-4H3,(H3,12,13,14)
InChIKey
VHCXTAABHIDZBZ-UHFFFAOYSA-N
Compound name
1-cyano-2-(2-diethoxyphosphorylbutan-2-yl)guanidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

276.13513 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 277.14241 162.4
[M+Na]+ 299.12435 167.5
[M-H]- 275.12785 162.3
[M+NH4]+ 294.16895 176.8
[M+K]+ 315.09829 169.2
[M+H-H2O]+ 259.13239 147.8
[M+HCOO]- 321.13333 186.6
[M+CH3COO]- 335.14898 218.3
[M+Na-2H]- 297.10980 164.8
[M]+ 276.13458 160.5
[M]- 276.13568 160.5
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.