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]+ 244.15434 157.2
[M+Na]+ 266.13628 162.6
[M-H]- 242.13978 159.0
[M+NH4]+ 261.18088 175.3
[M+K]+ 282.11022 162.9
[M+H-H2O]+ 226.14432 151.5
[M+HCOO]- 288.14526 175.1
[M+CH3COO]- 302.16091 191.3
[M+Na-2H]- 264.12173 157.7
[M]+ 243.14651 159.4
[M]- 243.14761 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.