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]+ 237.078916 153.1
[M+Na]+ 259.060858 160.0
[M-H]- 235.064364 159.1
[M+NH4]+ 254.105463 172.0
[M+K]+ 275.034798 155.7
[M+H-H2O]+ 219.068900 145.5
[M+HCOO]- 281.069841 172.2
[M+CH3COO]- 295.085491 192.0
[M+Na-2H]- 257.046306 155.9
[M]+ 236.07109142 152.7
[M]- 236.07218858 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.