CID 130018250

[2-amino-2-(thiophen-3-yl)ethyl]phosphonic acid hydrochloride

Structural Information

Molecular Formula
C6H10NO3PS
SMILES
C1=CSC=C1C(CP(=O)(O)O)N
InChI
InChI=1S/C6H10NO3PS/c7-6(3-11(8,9)10)5-1-2-12-4-5/h1-2,4,6H,3,7H2,(H2,8,9,10)
InChIKey
XYDSAJYOKZKBSP-UHFFFAOYSA-N
Compound name
(2-amino-2-thiophen-3-ylethyl)phosphonic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

9
Patents

207.0119 Da
Monoisotopic Mass

-3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 208.01918 142.2
[M+Na]+ 230.00112 148.4
[M-H]- 206.00462 141.6
[M+NH4]+ 225.04572 161.6
[M+K]+ 245.97506 146.1
[M+H-H2O]+ 190.00916 134.7
[M+HCOO]- 252.01010 164.1
[M+CH3COO]- 266.02575 178.6
[M+Na-2H]- 227.98657 141.2
[M]+ 207.01135 141.7
[M]- 207.01245 141.7
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