CID 5310934

133345-68-3

Structural Information

Molecular Formula
C4H12NO3P
SMILES
CP(=O)(C[C@@H](CN)O)O
InChI
InChI=1S/C4H12NO3P/c1-9(7,8)3-4(6)2-5/h4,6H,2-3,5H2,1H3,(H,7,8)/t4-/m1/s1
InChIKey
FUUPFUIGNBPCAY-SCSAIBSYSA-N
Compound name
[(2R)-3-amino-2-hydroxypropyl]-methylphosphinic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

21
References

123
Patents

153.05548 Da
Monoisotopic Mass

-4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 154.06276 135.5
[M+Na]+ 176.04470 141.7
[M-H]- 152.04820 131.6
[M+NH4]+ 171.08930 155.2
[M+K]+ 192.01864 141.1
[M+H-H2O]+ 136.05274 129.2
[M+HCOO]- 198.05368 160.7
[M+CH3COO]- 212.06933 173.3
[M+Na-2H]- 174.03015 137.3
[M]+ 153.05493 134.4
[M]- 153.05603 134.4
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