CID 14842361

Apcpr cpd

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]+ 196.036936 137.7
[M+Na]+ 218.018878 146.6
[M-H]- 194.022384 137.4
[M+NH4]+ 213.063483 152.2
[M+K]+ 233.992818 144.2
[M+H-H2O]+ 178.026920 132.7
[M+HCOO]- 240.027861 161.3
[M+CH3COO]- 254.043511 180.3
[M+Na-2H]- 216.004326 140.9
[M]+ 195.02911142 139.8
[M]- 195.03020858 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.