CID 25180889

127423-55-6

Structural Information

Molecular Formula
C12H22N2O4
SMILES
CC(C)(C)OC(=O)N1C[C@@H](C[C@H]1C(=O)N(C)C)O
InChI
InChI=1S/C12H22N2O4/c1-12(2,3)18-11(17)14-7-8(15)6-9(14)10(16)13(4)5/h8-9,15H,6-7H2,1-5H3/t8-,9+/m1/s1
InChIKey
UYDCRNHLCFHHFR-BDAKNGLRSA-N
Compound name
tert-butyl (2S,4R)-2-(dimethylcarbamoyl)-4-hydroxypyrrolidine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

49
Patents

258.15796 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 259.165236 160.1
[M+Na]+ 281.147178 165.3
[M-H]- 257.150684 162.3
[M+NH4]+ 276.191783 177.4
[M+K]+ 297.121118 166.1
[M+H-H2O]+ 241.155220 154.4
[M+HCOO]- 303.156161 178.0
[M+CH3COO]- 317.171811 197.9
[M+Na-2H]- 279.132626 159.3
[M]+ 258.15741142 161.1
[M]- 258.15850858 161.1
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