CID 21594532

Tert-butyl (2e)-2-(2-methoxy-2-oxoethylidene)pyrrolidine-1-carboxylate

Structural Information

Molecular Formula
C12H19NO4
SMILES
CC(C)(C)OC(=O)N\1CCC/C1=C\C(=O)OC
InChI
InChI=1S/C12H19NO4/c1-12(2,3)17-11(15)13-7-5-6-9(13)8-10(14)16-4/h8H,5-7H2,1-4H3/b9-8+
InChIKey
BRIIQLPCSMAAPI-CMDGGOBGSA-N
Compound name
tert-butyl (2E)-2-(2-methoxy-2-oxoethylidene)pyrrolidine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

241.13141 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 242.138686 156.2
[M+Na]+ 264.120628 162.1
[M-H]- 240.124134 158.1
[M+NH4]+ 259.165233 174.5
[M+K]+ 280.094568 161.8
[M+H-H2O]+ 224.128670 150.7
[M+HCOO]- 286.129611 174.4
[M+CH3COO]- 300.145261 189.1
[M+Na-2H]- 262.106076 156.8
[M]+ 241.13086142 157.6
[M]- 241.13195858 157.6
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

No patent data available for this compound.