CID 2878

Cppg

Structural Information

Molecular Formula
C11H14NO5P
SMILES
C1CC1C(C2=CC=C(C=C2)P(=O)(O)O)(C(=O)O)N
InChI
InChI=1S/C11H14NO5P/c12-11(10(13)14,7-1-2-7)8-3-5-9(6-4-8)18(15,16)17/h3-7H,1-2,12H2,(H,13,14)(H2,15,16,17)
InChIKey
IGODGTDUQSMDQU-UHFFFAOYSA-N
Compound name
2-amino-2-cyclopropyl-2-(4-phosphonophenyl)acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

401
Patents

271.06097 Da
Monoisotopic Mass

-3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 272.06825 162.7
[M+Na]+ 294.05019 171.2
[M+NH4]+ 289.09479 167.6
[M+K]+ 310.02413 171.3
[M-H]- 270.05369 168.2
[M+Na-2H]- 292.03564 167.8
[M]+ 271.06042 166.1
[M]- 271.06152 166.1
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