CID 4834895

3-[(3-aminopropyl)(hydroxy)phosphoryl]-2-methylpropanoic acid hydrochloride

Structural Information

Molecular Formula
C7H16NO4P
SMILES
CC(CP(=O)(CCCN)O)C(=O)O
InChI
InChI=1S/C7H16NO4P/c1-6(7(9)10)5-13(11,12)4-2-3-8/h6H,2-5,8H2,1H3,(H,9,10)(H,11,12)
InChIKey
CLUHZMHQMZAFDH-UHFFFAOYSA-N
Compound name
3-[3-aminopropyl(hydroxy)phosphoryl]-2-methylpropanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

209.0817 Da
Monoisotopic Mass

-3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 210.08898 150.2
[M+Na]+ 232.07092 155.1
[M-H]- 208.07442 145.8
[M+NH4]+ 227.11552 167.4
[M+K]+ 248.04486 154.3
[M+H-H2O]+ 192.07896 143.2
[M+HCOO]- 254.07990 173.8
[M+CH3COO]- 268.09555 184.6
[M+Na-2H]- 230.05637 149.5
[M]+ 209.08115 150.2
[M]- 209.08225 150.2
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

No patent data available for this compound.