CID 29938361

358629-47-7

Structural Information

Molecular Formula
C8H12N2O2
SMILES
C/C=C(/C(=O)N)\N1CCCC1=O
InChI
InChI=1S/C8H12N2O2/c1-2-6(8(9)12)10-5-3-4-7(10)11/h2H,3-5H2,1H3,(H2,9,12)/b6-2-
InChIKey
ZGHRUXLFLIMTAG-KXFIGUGUSA-N
Compound name
(Z)-2-(2-oxopyrrolidin-1-yl)but-2-enamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

25
Patents

168.08987 Da
Monoisotopic Mass

-0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 169.09715 138.3
[M+Na]+ 191.07909 145.5
[M+NH4]+ 186.12369 144.4
[M+K]+ 207.05303 143.8
[M-H]- 167.08259 137.3
[M+Na-2H]- 189.06454 140.0
[M]+ 168.08932 138.4
[M]- 168.09042 138.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe