CID 445715

Leucine phosphonic acid

Structural Information

Molecular Formula
C5H14NO3P
SMILES
CC(C)C[C@H](N)P(=O)(O)O
InChI
InChI=1S/C5H14NO3P/c1-4(2)3-5(6)10(7,8)9/h4-5H,3,6H2,1-2H3,(H2,7,8,9)/t5-/m1/s1
InChIKey
HGCAUCAWEADMPM-RXMQYKEDSA-N
Compound name
[(1R)-1-amino-3-methylbutyl]phosphonic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

10
References

101
Patents

167.07114 Da
Monoisotopic Mass

-3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 168.07842 140.3
[M+Na]+ 190.06036 145.9
[M-H]- 166.06386 136.3
[M+NH4]+ 185.10496 159.4
[M+K]+ 206.03430 145.6
[M+H-H2O]+ 150.06840 133.9
[M+HCOO]- 212.06934 164.1
[M+CH3COO]- 226.08499 177.3
[M+Na-2H]- 188.04581 140.3
[M]+ 167.07059 138.8
[M]- 167.07169 138.8
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