CID 3004165

Nsc634160

Structural Information

Molecular Formula
C14H16N2O3
SMILES
C=CCN1/C(=C/2\CC(=O)N(C2=O)CC=C)/CCC1=O
InChI
InChI=1S/C14H16N2O3/c1-3-7-15-11(5-6-12(15)17)10-9-13(18)16(8-4-2)14(10)19/h3-4H,1-2,5-9H2/b11-10+
InChIKey
RSJAINHWRRIEEV-ZHACJKMWSA-N
Compound name
(3E)-3-(5-oxo-1-prop-2-enylpyrrolidin-2-ylidene)-1-prop-2-enylpyrrolidine-2,5-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

260.1161 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 261.12338 159.9
[M+Na]+ 283.10532 168.2
[M-H]- 259.10882 163.9
[M+NH4]+ 278.14992 177.7
[M+K]+ 299.07926 163.5
[M+H-H2O]+ 243.11336 153.3
[M+HCOO]- 305.11430 179.0
[M+CH3COO]- 319.12995 195.6
[M+Na-2H]- 281.09077 155.7
[M]+ 260.11555 157.8
[M]- 260.11665 157.8
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.