CID 492448

(3s,4s)-1-[ethyl(isopropyl)carbamoyl]-3,4-dihydroxy-pyrrolidine-3-carboxylic acid

Structural Information

Molecular Formula
C11H20N2O5
SMILES
CCN(C(C)C)C(=O)N1C[C@@H]([C@@](C1)(C(=O)O)O)O
InChI
InChI=1S/C11H20N2O5/c1-4-13(7(2)3)10(17)12-5-8(14)11(18,6-12)9(15)16/h7-8,14,18H,4-6H2,1-3H3,(H,15,16)/t8-,11-/m0/s1
InChIKey
ANJUHJXCUOEBQB-KWQFWETISA-N
Compound name
(3S,4S)-1-[ethyl(propan-2-yl)carbamoyl]-3,4-dihydroxypyrrolidine-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

260.1372 Da
Monoisotopic Mass

-0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 261.14448 158.1
[M+Na]+ 283.12642 162.7
[M-H]- 259.12992 157.5
[M+NH4]+ 278.17102 175.4
[M+K]+ 299.10036 163.1
[M+H-H2O]+ 243.13446 153.4
[M+HCOO]- 305.13540 173.9
[M+CH3COO]- 319.15105 193.9
[M+Na-2H]- 281.11187 156.2
[M]+ 260.13665 156.8
[M]- 260.13775 156.8
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

No patent data available for this compound.