CID 213789

2-((3,4-dichlorophenyl)imino)-1-propylpyrrolidine

Structural Information

Molecular Formula
C13H16Cl2N2
SMILES
CCCN1CCCC1=NC2=CC(=C(C=C2)Cl)Cl
InChI
InChI=1S/C13H16Cl2N2/c1-2-7-17-8-3-4-13(17)16-10-5-6-11(14)12(15)9-10/h5-6,9H,2-4,7-8H2,1H3
InChIKey
HJWREMKULQQRIA-UHFFFAOYSA-N
Compound name
N-(3,4-dichlorophenyl)-1-propylpyrrolidin-2-imine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

270.06906 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 271.07634 163.4
[M+Na]+ 293.05828 172.1
[M-H]- 269.06178 168.8
[M+NH4]+ 288.10288 182.1
[M+K]+ 309.03222 165.8
[M+H-H2O]+ 253.06632 156.3
[M+HCOO]- 315.06726 177.3
[M+CH3COO]- 329.08291 199.7
[M+Na-2H]- 291.04373 164.3
[M]+ 270.06851 164.9
[M]- 270.06961 164.9
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

patents stripe