CID 13905156

2-vinylpyrrolidine, n-boc protected

Structural Information

Molecular Formula
C11H19NO2
SMILES
CC(C)(C)OC(=O)N1CCCC1C=C
InChI
InChI=1S/C11H19NO2/c1-5-9-7-6-8-12(9)10(13)14-11(2,3)4/h5,9H,1,6-8H2,2-4H3
InChIKey
HYHWHEBWKXKPGG-UHFFFAOYSA-N
Compound name
tert-butyl 2-ethenylpyrrolidine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

45
Patents

197.14159 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 198.14887 147.5
[M+Na]+ 220.13081 153.8
[M-H]- 196.13431 149.3
[M+NH4]+ 215.17541 167.6
[M+K]+ 236.10475 152.8
[M+H-H2O]+ 180.13885 142.0
[M+HCOO]- 242.13979 166.2
[M+CH3COO]- 256.15544 183.3
[M+Na-2H]- 218.11626 149.3
[M]+ 197.14104 147.0
[M]- 197.14214 147.0
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