CID 5278228

Chembl3220176

Structural Information

Molecular Formula
C11H20N2O3
SMILES
CCC(CC)C(=O)N1C[C@@H]([C@@H](C1)N)C(=O)O
InChI
InChI=1S/C11H20N2O3/c1-3-7(4-2)10(14)13-5-8(11(15)16)9(12)6-13/h7-9H,3-6,12H2,1-2H3,(H,15,16)/t8-,9+/m0/s1
InChIKey
QUNRCMDAJDSMHO-DTWKUNHWSA-N
Compound name
(3S,4S)-4-amino-1-(2-ethylbutanoyl)pyrrolidine-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
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 155.2
[M+Na]+ 251.13662 159.8
[M-H]- 227.14012 155.1
[M+NH4]+ 246.18122 172.4
[M+K]+ 267.11056 158.5
[M+H-H2O]+ 211.14466 148.9
[M+HCOO]- 273.14560 172.5
[M+CH3COO]- 287.16125 191.3
[M+Na-2H]- 249.12207 151.9
[M]+ 228.14685 152.1
[M]- 228.14795 152.1
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.