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]+ 187.107726 142.3
[M+Na]+ 209.089668 146.0
[M-H]- 185.093174 141.0
[M+NH4]+ 204.134273 160.1
[M+K]+ 225.063608 144.5
[M+H-H2O]+ 169.097710 135.8
[M+HCOO]- 231.098651 160.7
[M+CH3COO]- 245.114301 177.0
[M+Na-2H]- 207.075116 143.6
[M]+ 186.09990142 137.0
[M]- 186.10099858 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.