CID 2916

Phosphocysteamine

Structural Information

Molecular Formula
C2H8NO3PS
SMILES
C(CSP(=O)(O)O)N
InChI
InChI=1S/C2H8NO3PS/c3-1-2-8-7(4,5)6/h1-3H2,(H2,4,5,6)
InChIKey
RZPNFYXFSHGGBE-UHFFFAOYSA-N
Compound name
2-aminoethylsulfanylphosphonic acid
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

55
References

284
Patents

156.99625 Da
Monoisotopic Mass

-4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 158.00353 129.5
[M+Na]+ 179.98547 136.3
[M-H]- 155.98897 125.7
[M+NH4]+ 175.03007 149.3
[M+K]+ 195.95941 134.4
[M+H-H2O]+ 139.99351 122.7
[M+HCOO]- 201.99445 151.1
[M+CH3COO]- 216.01010 170.3
[M+Na-2H]- 177.97092 130.7
[M]+ 156.99570 129.9
[M]- 156.99680 129.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe