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

63
Patents

258.15796 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 259.16524 160.1
[M+Na]+ 281.14718 165.3
[M-H]- 257.15068 162.3
[M+NH4]+ 276.19178 177.4
[M+K]+ 297.12112 166.1
[M+H-H2O]+ 241.15522 154.4
[M+HCOO]- 303.15616 178.0
[M+CH3COO]- 317.17181 197.9
[M+Na-2H]- 279.13263 159.3
[M]+ 258.15741 161.1
[M]- 258.15851 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