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

0
Patents

188.11609 Da
Monoisotopic Mass

-0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 189.12337 142.4
[M+Na]+ 211.10531 148.5
[M-H]- 187.10881 142.6
[M+NH4]+ 206.14991 161.5
[M+K]+ 227.07925 147.6
[M+H-H2O]+ 171.11335 136.2
[M+HCOO]- 233.11429 162.5
[M+CH3COO]- 247.12994 180.5
[M+Na-2H]- 209.09076 143.0
[M]+ 188.11554 140.1
[M]- 188.11664 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

No patent data available for this compound.