CID 3065980

109345-53-1

Structural Information

Molecular Formula
C7H15N2O4P
SMILES
C1CC(NC1)C(=O)NCCP(=O)(O)O
InChI
InChI=1S/C7H15N2O4P/c10-7(6-2-1-3-8-6)9-4-5-14(11,12)13/h6,8H,1-5H2,(H,9,10)(H2,11,12,13)
InChIKey
UJWQUEQBTYLGCG-UHFFFAOYSA-N
Compound name
2-(pyrrolidine-2-carbonylamino)ethylphosphonic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

222.07695 Da
Monoisotopic Mass

-4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 223.08423 150.3
[M+Na]+ 245.06617 153.6
[M-H]- 221.06967 146.4
[M+NH4]+ 240.11077 166.4
[M+K]+ 261.04011 152.0
[M+H-H2O]+ 205.07421 142.1
[M+HCOO]- 267.07515 172.0
[M+CH3COO]- 281.09080 180.1
[M+Na-2H]- 243.05162 150.3
[M]+ 222.07640 145.5
[M]- 222.07750 145.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe