CID 154852603

2740779-44-4

Structural Information

Molecular Formula
C10H20N2O4
SMILES
CC(C)(C)OC(=O)N1C[C@H]([C@H]([C@@H]1CN)O)O
InChI
InChI=1S/C10H20N2O4/c1-10(2,3)16-9(15)12-5-7(13)8(14)6(12)4-11/h6-8,13-14H,4-5,11H2,1-3H3/t6-,7+,8-/m0/s1
InChIKey
YCTRGSCJEBNELD-RNJXMRFFSA-N
Compound name
tert-butyl (2S,3S,4R)-2-(aminomethyl)-3,4-dihydroxypyrrolidine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

232.1423 Da
Monoisotopic Mass

-0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 233.14958 154.3
[M+Na]+ 255.13152 160.4
[M-H]- 231.13502 153.5
[M+NH4]+ 250.17612 171.3
[M+K]+ 271.10546 159.2
[M+H-H2O]+ 215.13956 149.1
[M+HCOO]- 277.14050 170.8
[M+CH3COO]- 291.15615 187.5
[M+Na-2H]- 253.11697 153.9
[M]+ 232.14175 152.1
[M]- 232.14285 152.1
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.