CID 57367819

Schembl361330

Structural Information

Molecular Formula

C₁₁H₁₄NO₅P

SMILES

C1CC1C(C(=O)O)NC2=CC=C(C=C2)P(=O)(O)O

InChI

InChI=1S/C11H14NO5P/c13-11(14)10(7-1-2-7)12-8-3-5-9(6-4-8)18(15,16)17/h3-7,10,12H,1-2H2,(H,13,14)(H2,15,16,17)

InChIKey

ZSLBCRWQPHGVPR-UHFFFAOYSA-N

Compound name

2-cyclopropyl-2-(4-phosphonoanilino)acetic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 37
Patents: 271.06097 Da
Monoisotopic Mass: 0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	272.06825	161.7
[M+Na]+	294.05019	170.5
[M+NH4]+	289.09479	166.9
[M+K]+	310.02413	170.0
[M-H]-	270.05369	167.8
[M+Na-2H]-	292.03564	167.0
[M]+	271.06042	165.3
[M]-	271.06152	165.3

Literature stripe

literature stripe

Patent stripe

patents stripe