CID 3972752

Mppg

Structural Information

Molecular Formula
C9H12NO5P
SMILES
CC(C1=CC=C(C=C1)P(=O)(O)O)(C(=O)O)N
InChI
InChI=1S/C9H12NO5P/c1-9(10,8(11)12)6-2-4-7(5-3-6)16(13,14)15/h2-5H,10H2,1H3,(H,11,12)(H2,13,14,15)
InChIKey
PAONCRJPUQXPRW-UHFFFAOYSA-N
Compound name
2-amino-2-(4-phosphonophenyl)propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

8
References

168
Patents

245.0453 Da
Monoisotopic Mass

-3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 246.05258 152.1
[M+Na]+ 268.03452 158.9
[M+NH4]+ 263.07912 155.9
[M+K]+ 284.00846 158.6
[M-H]- 244.03802 149.0
[M+Na-2H]- 266.01997 153.9
[M]+ 245.04475 151.6
[M]- 245.04585 151.6
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