CID 14842361

Chembl440648

Structural Information

Molecular Formula
C5H10NO5P
SMILES
C1C(C1(C(=O)O)N)CP(=O)(O)O
InChI
InChI=1S/C5H10NO5P/c6-5(4(7)8)1-3(5)2-12(9,10)11/h3H,1-2,6H2,(H,7,8)(H2,9,10,11)
InChIKey
RACNCOSUCJNQDH-UHFFFAOYSA-N
Compound name
1-amino-2-(phosphonomethyl)cyclopropane-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

4
References

0
Patents

195.02966 Da
Monoisotopic Mass

-5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 196.03694 137.7
[M+Na]+ 218.01888 146.6
[M-H]- 194.02238 137.4
[M+NH4]+ 213.06348 152.2
[M+K]+ 233.99282 144.2
[M+H-H2O]+ 178.02692 132.7
[M+HCOO]- 240.02786 161.3
[M+CH3COO]- 254.04351 180.3
[M+Na-2H]- 216.00433 140.9
[M]+ 195.02911 139.8
[M]- 195.03021 139.8
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

No patent data available for this compound.