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 153.1
[M+Na]+ 259.06086 160.0
[M-H]- 235.06436 159.1
[M+NH4]+ 254.10546 172.0
[M+K]+ 275.03480 155.7
[M+H-H2O]+ 219.06890 145.5
[M+HCOO]- 281.06984 172.2
[M+CH3COO]- 295.08549 192.0
[M+Na-2H]- 257.04631 155.9
[M]+ 236.07109 152.7
[M]- 236.07219 152.7
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.