CID 151927

N,n,n-trimethyl-2-aminoethylphosphonate

Structural Information

Molecular Formula
C5H15NO3P
SMILES
C[N+](C)(C)CCP(=O)(O)O
InChI
InChI=1S/C5H14NO3P/c1-6(2,3)4-5-10(7,8)9/h4-5H2,1-3H3,(H-,7,8,9)/p+1
InChIKey
VCANKBLUHKRQLL-UHFFFAOYSA-O
Compound name
trimethyl(2-phosphonoethyl)azanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

27
Patents

168.07895 Da
Monoisotopic Mass

-1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 169.08623 134.6
[M+Na]+ 191.06817 141.6
[M-H]- 167.07167 133.2
[M+NH4]+ 186.11277 155.0
[M+K]+ 207.04211 136.3
[M+H-H2O]+ 151.07621 131.8
[M+HCOO]- 213.07715 160.7
[M+CH3COO]- 227.09280 171.9
[M+Na-2H]- 189.05362 143.3
[M]+ 168.07840 135.2
[M]- 168.07950 135.2
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

patents stripe