CID 95566961

Tert-butyl (2s)-2-[(1s)-1-hydroxyethyl]pyrrolidine-1-carboxylate

Structural Information

Molecular Formula
C11H21NO3
SMILES
C[C@@H]([C@@H]1CCCN1C(=O)OC(C)(C)C)O
InChI
InChI=1S/C11H21NO3/c1-8(13)9-6-5-7-12(9)10(14)15-11(2,3)4/h8-9,13H,5-7H2,1-4H3/t8-,9-/m0/s1
InChIKey
JNNOAQQODYAQBD-IUCAKERBSA-N
Compound name
tert-butyl (2S)-2-[(1S)-1-hydroxyethyl]pyrrolidine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

12
Patents

215.15215 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 216.159426 152.2
[M+Na]+ 238.141368 157.4
[M-H]- 214.144874 152.7
[M+NH4]+ 233.185973 170.8
[M+K]+ 254.115308 157.1
[M+H-H2O]+ 198.149410 146.9
[M+HCOO]- 260.150351 168.4
[M+CH3COO]- 274.166001 184.6
[M+Na-2H]- 236.126816 152.4
[M]+ 215.15160142 151.3
[M]- 215.15269858 151.3
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