CID 394460

Nsc697934

Structural Information

Molecular Formula
C12H17NO4
SMILES
CCOC(=O)C1CCN(C1=O)C(=O)CCC=C
InChI
InChI=1S/C12H17NO4/c1-3-5-6-10(14)13-8-7-9(11(13)15)12(16)17-4-2/h3,9H,1,4-8H2,2H3
InChIKey
XJMZIIQVIBCHKW-UHFFFAOYSA-N
Compound name
ethyl 2-oxo-1-pent-4-enoylpyrrolidine-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

239.11575 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 240.12303 154.0
[M+Na]+ 262.10497 160.4
[M-H]- 238.10847 155.8
[M+NH4]+ 257.14957 172.1
[M+K]+ 278.07891 159.0
[M+H-H2O]+ 222.11301 147.8
[M+HCOO]- 284.11395 173.8
[M+CH3COO]- 298.12960 191.2
[M+Na-2H]- 260.09042 152.9
[M]+ 239.11520 155.7
[M]- 239.11630 155.7
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.