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

33
Patents

168.08987 Da
Monoisotopic Mass

-0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 169.097146 137.4
[M+Na]+ 191.079088 143.4
[M-H]- 167.082594 138.8
[M+NH4]+ 186.123693 157.5
[M+K]+ 207.053028 142.1
[M+H-H2O]+ 151.087130 131.1
[M+HCOO]- 213.088071 158.1
[M+CH3COO]- 227.103721 179.5
[M+Na-2H]- 189.064536 137.9
[M]+ 168.08932142 133.2
[M]- 168.09041858 133.2
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