CID 9570407

25555-22-0

Structural Information

Molecular Formula
C12H13ClN2O
SMILES
C1CCN(C1)/N=C/C(=O)C2=CC=C(C=C2)Cl
InChI
InChI=1S/C12H13ClN2O/c13-11-5-3-10(4-6-11)12(16)9-14-15-7-1-2-8-15/h3-6,9H,1-2,7-8H2/b14-9+
InChIKey
JZHFCTMECLSJFP-NTEUORMPSA-N
Compound name
(2E)-1-(4-chlorophenyl)-2-pyrrolidin-1-yliminoethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

236.07164 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 237.07892 151.9
[M+Na]+ 259.06086 163.9
[M+NH4]+ 254.10546 160.5
[M+K]+ 275.03480 158.1
[M-H]- 235.06436 155.5
[M+Na-2H]- 257.04631 159.1
[M]+ 236.07109 154.7
[M]- 236.07219 154.7
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.