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]+ 266.149916 163.1
[M+Na]+ 288.131858 169.1
[M-H]- 264.135364 166.1
[M+NH4]+ 283.176463 179.0
[M+K]+ 304.105798 168.4
[M+H-H2O]+ 248.139900 155.2
[M+HCOO]- 310.140841 180.0
[M+CH3COO]- 324.156491 193.0
[M+Na-2H]- 286.117306 162.5
[M]+ 265.14209142 163.4
[M]- 265.14318858 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

patents stripe