CID 92981517

2230802-86-3

Structural Information

Molecular Formula
C8H16N2O3
SMILES
CCOC(=O)N1C[C@@H]([C@@H](C1)N)CO
InChI
InChI=1S/C8H16N2O3/c1-2-13-8(12)10-3-6(5-11)7(9)4-10/h6-7,11H,2-5,9H2,1H3/t6-,7-/m1/s1
InChIKey
ZWKLUSFPRRYDGL-RNFRBKRXSA-N
Compound name
ethyl (3S,4S)-3-amino-4-(hydroxymethyl)pyrrolidine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

188.11609 Da
Monoisotopic Mass

-0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 189.123366 142.4
[M+Na]+ 211.105308 148.5
[M-H]- 187.108814 142.6
[M+NH4]+ 206.149913 161.5
[M+K]+ 227.079248 147.6
[M+H-H2O]+ 171.113350 136.2
[M+HCOO]- 233.114291 162.5
[M+CH3COO]- 247.129941 180.5
[M+Na-2H]- 209.090756 143.0
[M]+ 188.11554142 140.1
[M]- 188.11663858 140.1
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

patents stripe