CID 218119

Phosphoramidic acid, n-(alpha,alpha-dimethylphenethyl)-, disodium salt

Structural Information

Molecular Formula
C10H16NO3P
SMILES
CC(C)(CC1=CC=CC=C1)NP(=O)(O)O
InChI
InChI=1S/C10H16NO3P/c1-10(2,11-15(12,13)14)8-9-6-4-3-5-7-9/h3-7H,8H2,1-2H3,(H3,11,12,13,14)
InChIKey
CLJQTQIQFUBLMQ-UHFFFAOYSA-N
Compound name
[(2-methyl-1-phenylpropan-2-yl)amino]phosphonic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

229.08678 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 230.09406 154.4
[M+Na]+ 252.07600 159.9
[M-H]- 228.07950 154.0
[M+NH4]+ 247.12060 171.1
[M+K]+ 268.04994 157.6
[M+H-H2O]+ 212.08404 146.8
[M+HCOO]- 274.08498 179.2
[M+CH3COO]- 288.10063 187.2
[M+Na-2H]- 250.06145 159.2
[M]+ 229.08623 153.9
[M]- 229.08733 153.9
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.