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]+ 233.149576 154.3
[M+Na]+ 255.131518 160.4
[M-H]- 231.135024 153.5
[M+NH4]+ 250.176123 171.3
[M+K]+ 271.105458 159.2
[M+H-H2O]+ 215.139560 149.1
[M+HCOO]- 277.140501 170.8
[M+CH3COO]- 291.156151 187.5
[M+Na-2H]- 253.116966 153.9
[M]+ 232.14175142 152.1
[M]- 232.14284858 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.