CID 25257021

Tert-butyl 3-acetylpyrrolidine-1-carboxylate

Structural Information

Molecular Formula
C11H19NO3
SMILES
CC(=O)C1CCN(C1)C(=O)OC(C)(C)C
InChI
InChI=1S/C11H19NO3/c1-8(13)9-5-6-12(7-9)10(14)15-11(2,3)4/h9H,5-7H2,1-4H3
InChIKey
WTNNGFYIEBJFPX-UHFFFAOYSA-N
Compound name
tert-butyl 3-acetylpyrrolidine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

130
Patents

213.13649 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 214.143766 149.8
[M+Na]+ 236.125708 155.8
[M-H]- 212.129214 151.8
[M+NH4]+ 231.170313 169.2
[M+K]+ 252.099648 155.8
[M+H-H2O]+ 196.133750 144.4
[M+HCOO]- 258.134691 167.8
[M+CH3COO]- 272.150341 186.2
[M+Na-2H]- 234.111156 150.7
[M]+ 213.13594142 150.2
[M]- 213.13703858 150.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe