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]+ 244.16558 158.6
[M+Na]+ 266.14752 162.6
[M-H]- 242.15102 160.1
[M+NH4]+ 261.19212 175.6
[M+K]+ 282.12146 162.8
[M+H-H2O]+ 226.15556 151.8
[M+HCOO]- 288.15650 177.5
[M+CH3COO]- 302.17215 199.3
[M+Na-2H]- 264.13297 155.1
[M]+ 243.15775 156.0
[M]- 243.15885 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.