CID 22500548

1-boc-2-[(e)-2-carboxyethenyl]-pyrrolidine

Structural Information

Molecular Formula
C12H19NO4
SMILES
CC(C)(C)OC(=O)N1CCCC1/C=C/C(=O)O
InChI
InChI=1S/C12H19NO4/c1-12(2,3)17-11(16)13-8-4-5-9(13)6-7-10(14)15/h6-7,9H,4-5,8H2,1-3H3,(H,14,15)/b7-6+
InChIKey
WVZOWSAYQHINTR-VOTSOKGWSA-N
Compound name
(E)-3-[1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]prop-2-enoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

17
Patents

241.13141 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 242.13869 156.8
[M+Na]+ 264.12063 163.0
[M+NH4]+ 259.16523 161.2
[M+K]+ 280.09457 162.5
[M-H]- 240.12413 153.5
[M+Na-2H]- 262.10608 156.8
[M]+ 241.13086 156.1
[M]- 241.13196 156.1
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