CID 21889008

N,n-dimethyl-2-phosphonoethanamine

Structural Information

Molecular Formula
C4H12NO3P
SMILES
CC(N(C)C)P(=O)(O)O
InChI
InChI=1S/C4H12NO3P/c1-4(5(2)3)9(6,7)8/h4H,1-3H3,(H2,6,7,8)
InChIKey
DALOYMBBEZWGND-UHFFFAOYSA-N
Compound name
1-(dimethylamino)ethylphosphonic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

168
Patents

153.05548 Da
Monoisotopic Mass

-3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 154.06276 133.6
[M+Na]+ 176.04470 140.1
[M-H]- 152.04820 131.9
[M+NH4]+ 171.08930 154.3
[M+K]+ 192.01864 141.3
[M+H-H2O]+ 136.05274 127.3
[M+HCOO]- 198.05368 160.0
[M+CH3COO]- 212.06933 177.3
[M+Na-2H]- 174.03015 136.0
[M]+ 153.05493 134.9
[M]- 153.05603 134.9
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.