CID 12470658

S-(1-amidinononyl) phosphorothioate monosodium salt

Structural Information

Molecular Formula
C10H23N2O3PS
SMILES
CCCCCCCCC(C(=N)N)SP(=O)(O)O
InChI
InChI=1S/C10H23N2O3PS/c1-2-3-4-5-6-7-8-9(10(11)12)17-16(13,14)15/h9H,2-8H2,1H3,(H3,11,12)(H2,13,14,15)
InChIKey
KRHFRAVKPGHMPT-UHFFFAOYSA-N
Compound name
(1-amino-1-iminodecan-2-yl)sulfanylphosphonic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

282.1167 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 283.12398 167.3
[M+Na]+ 305.10592 169.3
[M-H]- 281.10942 161.9
[M+NH4]+ 300.15052 181.4
[M+K]+ 321.07986 166.1
[M+H-H2O]+ 265.11396 158.6
[M+HCOO]- 327.11490 185.3
[M+CH3COO]- 341.13055 200.5
[M+Na-2H]- 303.09137 163.1
[M]+ 282.11615 167.7
[M]- 282.11725 167.7
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

No patent data available for this compound.