CID 14061183

Tert-butyl (2s)-2-(1h-imidazole-1-carbonyl)pyrrolidine-1-carboxylate

Structural Information

Molecular Formula
C13H19N3O3
SMILES
CC(C)(C)OC(=O)N1CCC[C@H]1C(=O)N2C=CN=C2
InChI
InChI=1S/C13H19N3O3/c1-13(2,3)19-12(18)16-7-4-5-10(16)11(17)15-8-6-14-9-15/h6,8-10H,4-5,7H2,1-3H3/t10-/m0/s1
InChIKey
VGWZCHQEHLWTQY-JTQLQIEISA-N
Compound name
tert-butyl (2S)-2-(imidazole-1-carbonyl)pyrrolidine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

18
Patents

265.14264 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 266.14992 163.1
[M+Na]+ 288.13186 169.1
[M-H]- 264.13536 166.1
[M+NH4]+ 283.17646 179.0
[M+K]+ 304.10580 168.4
[M+H-H2O]+ 248.13990 155.2
[M+HCOO]- 310.14084 180.0
[M+CH3COO]- 324.15649 193.0
[M+Na-2H]- 286.11731 162.5
[M]+ 265.14209 163.4
[M]- 265.14319 163.4
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.