CID 385501

Nsc676750

Structural Information

Molecular Formula
C13H27N4O3P
SMILES
CC(C)C(N(C)C(=NC#N)N)P(=O)(OC(C)C)OC(C)C
InChI
InChI=1S/C13H27N4O3P/c1-9(2)12(17(7)13(15)16-8-14)21(18,19-10(3)4)20-11(5)6/h9-12H,1-7H3,(H2,15,16)
InChIKey
SSMBDQQPDWPTGO-UHFFFAOYSA-N
Compound name
2-cyano-1-[1-di(propan-2-yloxy)phosphoryl-2-methylpropyl]-1-methylguanidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

318.18207 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 319.18935 175.4
[M+Na]+ 341.17129 178.6
[M-H]- 317.17479 176.2
[M+NH4]+ 336.21589 188.6
[M+K]+ 357.14523 182.3
[M+H-H2O]+ 301.17933 160.2
[M+HCOO]- 363.18027 197.1
[M+CH3COO]- 377.19592 232.0
[M+Na-2H]- 339.15674 170.6
[M]+ 318.18152 173.9
[M]- 318.18262 173.9
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.