CID 130068060

3-allyl-3-amino-1-boc-pyrrolidine

Structural Information

Molecular Formula
C12H22N2O2
SMILES
CC(C)(C)OC(=O)N1CCC(C1)(CC=C)N
InChI
InChI=1S/C12H22N2O2/c1-5-6-12(13)7-8-14(9-12)10(15)16-11(2,3)4/h5H,1,6-9,13H2,2-4H3
InChIKey
NIJUVWOOJQTXTQ-UHFFFAOYSA-N
Compound name
tert-butyl 3-amino-3-prop-2-enylpyrrolidine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

19
Patents

226.16812 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 227.17540 154.7
[M+Na]+ 249.15734 160.6
[M-H]- 225.16084 156.1
[M+NH4]+ 244.20194 175.1
[M+K]+ 265.13128 159.1
[M+H-H2O]+ 209.16538 149.7
[M+HCOO]- 271.16632 173.5
[M+CH3COO]- 285.18197 190.1
[M+Na-2H]- 247.14279 156.8
[M]+ 226.16757 153.1
[M]- 226.16867 153.1
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