CID 83525

L-alanyl-l-proline

Structural Information

Molecular Formula
C8H14N2O3
SMILES
C[C@@H](C(=O)N1CCC[C@H]1C(=O)O)N
InChI
InChI=1S/C8H14N2O3/c1-5(9)7(11)10-4-2-3-6(10)8(12)13/h5-6H,2-4,9H2,1H3,(H,12,13)/t5-,6-/m0/s1
InChIKey
WPWUFUBLGADILS-WDSKDSINSA-N
Compound name
(2S)-1-[(2S)-2-aminopropanoyl]pyrrolidine-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

40
References

9380
Patents

186.10045 Da
Monoisotopic Mass

-2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 187.10773 142.1
[M+Na]+ 209.08967 147.0
[M-H]- 185.09317 142.2
[M+NH4]+ 204.13427 160.6
[M+K]+ 225.06361 146.5
[M+H-H2O]+ 169.09771 135.9
[M+HCOO]- 231.09865 160.4
[M+CH3COO]- 245.11430 181.0
[M+Na-2H]- 207.07512 141.0
[M]+ 186.09990 137.5
[M]- 186.10100 137.5
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

patents stripe