CID 82619118

Tert-butyl 3-(2-amino-1-hydroxyethyl)pyrrolidine-1-carboxylate

Structural Information

Molecular Formula
C11H22N2O3
SMILES
CC(C)(C)OC(=O)N1CCC(C1)C(CN)O
InChI
InChI=1S/C11H22N2O3/c1-11(2,3)16-10(15)13-5-4-8(7-13)9(14)6-12/h8-9,14H,4-7,12H2,1-3H3
InChIKey
JSSPNIXCBSAUKT-UHFFFAOYSA-N
Compound name
tert-butyl 3-(2-amino-1-hydroxyethyl)pyrrolidine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

230.16304 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 231.17032 156.5
[M+Na]+ 253.15226 160.7
[M-H]- 229.15576 156.3
[M+NH4]+ 248.19686 173.8
[M+K]+ 269.12620 160.1
[M+H-H2O]+ 213.16030 150.6
[M+HCOO]- 275.16124 173.1
[M+CH3COO]- 289.17689 189.0
[M+Na-2H]- 251.13771 156.1
[M]+ 230.16249 153.7
[M]- 230.16359 153.7
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