CID 3005362

Nsc694967

Structural Information

Molecular Formula
C12H12N2O2
SMILES
CN\1CCC/C1=C/2\C(=O)C3=CC=CN3C2=O
InChI
InChI=1S/C12H12N2O2/c1-13-6-2-4-8(13)10-11(15)9-5-3-7-14(9)12(10)16/h3,5,7H,2,4,6H2,1H3/b10-8-
InChIKey
YCEWWCZXNFGMOI-NTMALXAHSA-N
Compound name
(2Z)-2-(1-methylpyrrolidin-2-ylidene)pyrrolizine-1,3-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

216.08987 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 217.09715 149.2
[M+Na]+ 239.07909 158.9
[M-H]- 215.08259 155.2
[M+NH4]+ 234.12369 171.6
[M+K]+ 255.05303 155.7
[M+H-H2O]+ 199.08713 143.3
[M+HCOO]- 261.08807 170.4
[M+CH3COO]- 275.10372 162.6
[M+Na-2H]- 237.06454 147.4
[M]+ 216.08932 147.9
[M]- 216.09042 147.9
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.