CID 3755290

144688-83-5

Structural Information

Molecular Formula
C12H21NO2
SMILES
CC(C)(C)OC(=O)N1CCCC1CC=C
InChI
InChI=1S/C12H21NO2/c1-5-7-10-8-6-9-13(10)11(14)15-12(2,3)4/h5,10H,1,6-9H2,2-4H3
InChIKey
REHOBPXCTRHRJK-UHFFFAOYSA-N
Compound name
tert-butyl 2-prop-2-enylpyrrolidine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

47
Patents

211.15723 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 212.164506 152.1
[M+Na]+ 234.146448 158.0
[M-H]- 210.149954 153.8
[M+NH4]+ 229.191053 171.7
[M+K]+ 250.120388 156.7
[M+H-H2O]+ 194.154490 146.5
[M+HCOO]- 256.155431 170.5
[M+CH3COO]- 270.171081 186.4
[M+Na-2H]- 232.131896 153.4
[M]+ 211.15668142 152.0
[M]- 211.15777858 152.0
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