CID 137949207

Tert-butyl (2s)-2-(2-methoxyacetyl)pyrrolidine-1-carboxylate

Structural Information

Molecular Formula
C12H21NO4
SMILES
CC(C)(C)OC(=O)N1CCC[C@H]1C(=O)COC
InChI
InChI=1S/C12H21NO4/c1-12(2,3)17-11(15)13-7-5-6-9(13)10(14)8-16-4/h9H,5-8H2,1-4H3/t9-/m0/s1
InChIKey
YDTHZSZTWFGIBX-VIFPVBQESA-N
Compound name
tert-butyl (2S)-2-(2-methoxyacetyl)pyrrolidine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

243.14706 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 244.154336 157.2
[M+Na]+ 266.136278 162.6
[M-H]- 242.139784 159.0
[M+NH4]+ 261.180883 175.3
[M+K]+ 282.110218 162.9
[M+H-H2O]+ 226.144320 151.5
[M+HCOO]- 288.145261 175.1
[M+CH3COO]- 302.160911 191.3
[M+Na-2H]- 264.121726 157.7
[M]+ 243.14651142 159.4
[M]- 243.14760858 159.4
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

No patent data available for this compound.