CID 22411354

1461706-45-5

Structural Information

Molecular Formula
C8H14N2O3
SMILES
C1CC(NC1)C(=O)NCCC(=O)O
InChI
InChI=1S/C8H14N2O3/c11-7(12)3-5-10-8(13)6-2-1-4-9-6/h6,9H,1-5H2,(H,10,13)(H,11,12)
InChIKey
PALCOTPJCVREEI-UHFFFAOYSA-N
Compound name
3-(pyrrolidine-2-carbonylamino)propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

186.10045 Da
Monoisotopic Mass

-3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 187.10773 142.3
[M+Na]+ 209.08967 146.0
[M-H]- 185.09317 141.0
[M+NH4]+ 204.13427 160.1
[M+K]+ 225.06361 144.5
[M+H-H2O]+ 169.09771 135.8
[M+HCOO]- 231.09865 160.7
[M+CH3COO]- 245.11430 177.0
[M+Na-2H]- 207.07512 143.6
[M]+ 186.09990 137.0
[M]- 186.10100 137.0
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

No patent data available for this compound.