CID 80817

Leucylproline

Structural Information

Molecular Formula
C11H20N2O3
SMILES
CC(C)C[C@@H](C(=O)N1CCC[C@H]1C(=O)O)N
InChI
InChI=1S/C11H20N2O3/c1-7(2)6-8(12)10(14)13-5-3-4-9(13)11(15)16/h7-9H,3-6,12H2,1-2H3,(H,15,16)/t8-,9-/m0/s1
InChIKey
VTJUNIYRYIAIHF-IUCAKERBSA-N
Compound name
(2S)-1-[(2S)-2-amino-4-methylpentanoyl]pyrrolidine-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

39
References

6791
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 155.9
[M+Na]+ 251.13662 159.3
[M-H]- 227.14012 155.5
[M+NH4]+ 246.18122 172.7
[M+K]+ 267.11056 158.6
[M+H-H2O]+ 211.14466 149.4
[M+HCOO]- 273.14560 172.2
[M+CH3COO]- 287.16125 191.0
[M+Na-2H]- 249.12207 152.0
[M]+ 228.14685 151.8
[M]- 228.14795 151.8
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