CID 58006925

Tert-butyl (3r,4r)-3-(dimethylamino)-4-hydroxypyrrolidine-1-carboxylate

Structural Information

Molecular Formula
C11H22N2O3
SMILES
CC(C)(C)OC(=O)N1C[C@H]([C@@H](C1)O)N(C)C
InChI
InChI=1S/C11H22N2O3/c1-11(2,3)16-10(15)13-6-8(12(4)5)9(14)7-13/h8-9,14H,6-7H2,1-5H3/t8-,9-/m1/s1
InChIKey
VYJCQLFIOYWZQH-RKDXNWHRSA-N
Compound name
tert-butyl (3R,4R)-3-(dimethylamino)-4-hydroxypyrrolidine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

69
Patents

230.16304 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 231.17032 154.6
[M+Na]+ 253.15226 160.3
[M-H]- 229.15576 156.9
[M+NH4]+ 248.19686 173.3
[M+K]+ 269.12620 160.9
[M+H-H2O]+ 213.16030 149.0
[M+HCOO]- 275.16124 173.4
[M+CH3COO]- 289.17689 193.3
[M+Na-2H]- 251.13771 155.3
[M]+ 230.16249 155.3
[M]- 230.16359 155.3
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