CID 3085503

1-(dimethylamino)-1-chloroethane-1-phosphonic acid

Structural Information

Molecular Formula
C4H11ClNO3P
SMILES
C[C@@](N(C)C)(P(=O)(O)O)Cl
InChI
InChI=1S/C4H11ClNO3P/c1-4(5,6(2)3)10(7,8)9/h1-3H3,(H2,7,8,9)/t4-/m1/s1
InChIKey
QTSXVZKMXPJJMS-SCSAIBSYSA-N
Compound name
[(1R)-1-chloro-1-(dimethylamino)ethyl]phosphonic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

187.01651 Da
Monoisotopic Mass

-2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 188.02379 137.3
[M+Na]+ 210.00573 145.3
[M-H]- 186.00923 136.0
[M+NH4]+ 205.05033 157.8
[M+K]+ 225.97967 144.2
[M+H-H2O]+ 170.01377 132.7
[M+HCOO]- 232.01471 158.8
[M+CH3COO]- 246.03036 180.8
[M+Na-2H]- 207.99118 142.0
[M]+ 187.01596 140.6
[M]- 187.01706 140.6
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.