CID 444876

Isoleucyl-proline

Structural Information

Molecular Formula
C11H20N2O3
SMILES
CC[C@H](C)[C@@H](C(=O)N1CCC[C@H]1C(=O)O)N
InChI
InChI=1S/C11H20N2O3/c1-3-7(2)9(12)10(14)13-6-4-5-8(13)11(15)16/h7-9H,3-6,12H2,1-2H3,(H,15,16)/t7-,8-,9-/m0/s1
InChIKey
BBIXOODYWPFNDT-CIUDSAMLSA-N
Compound name
(2S)-1-[(2S,3S)-2-amino-3-methylpentanoyl]pyrrolidine-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

5
References

2461
Patents

228.1474 Da
Monoisotopic Mass

-1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 229.15468 154.8
[M+Na]+ 251.13662 159.6
[M+NH4]+ 246.18122 159.5
[M+K]+ 267.11056 159.8
[M-H]- 227.14012 152.5
[M+Na-2H]- 249.12207 154.1
[M]+ 228.14685 154.0
[M]- 228.14795 154.0
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