CID 503253

Chembl3220179

Structural Information

Molecular Formula
C11H21N3O3
SMILES
CCN(C(C)C)C(=O)N1C[C@@H]([C@@H](C1)N)C(=O)O
InChI
InChI=1S/C11H21N3O3/c1-4-14(7(2)3)11(17)13-5-8(10(15)16)9(12)6-13/h7-9H,4-6,12H2,1-3H3,(H,15,16)/t8-,9+/m0/s1
InChIKey
AKRSNNDSRNCUEU-DTWKUNHWSA-N
Compound name
(3S,4S)-4-amino-1-[ethyl(propan-2-yl)carbamoyl]pyrrolidine-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

243.1583 Da
Monoisotopic Mass

-2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 244.165576 158.6
[M+Na]+ 266.147518 162.6
[M-H]- 242.151024 160.1
[M+NH4]+ 261.192123 175.6
[M+K]+ 282.121458 162.8
[M+H-H2O]+ 226.155560 151.8
[M+HCOO]- 288.156501 177.5
[M+CH3COO]- 302.172151 199.3
[M+Na-2H]- 264.132966 155.1
[M]+ 243.15775142 156.0
[M]- 243.15884858 156.0
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

No patent data available for this compound.