CID 213787

1-allyl-2-((3,4-dichlorophenyl)imino)pyrrolidine

Structural Information

Molecular Formula
C13H14Cl2N2
SMILES
C=CCN1CCCC1=NC2=CC(=C(C=C2)Cl)Cl
InChI
InChI=1S/C13H14Cl2N2/c1-2-7-17-8-3-4-13(17)16-10-5-6-11(14)12(15)9-10/h2,5-6,9H,1,3-4,7-8H2
InChIKey
YHWRSRGDHUYLIV-UHFFFAOYSA-N
Compound name
N-(3,4-dichlorophenyl)-1-prop-2-enylpyrrolidin-2-imine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

268.0534 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 269.06068 158.9
[M+Na]+ 291.04262 172.7
[M+NH4]+ 286.08722 168.0
[M+K]+ 307.01656 165.0
[M-H]- 267.04612 163.0
[M+Na-2H]- 289.02807 166.0
[M]+ 268.05285 162.5
[M]- 268.05395 162.5
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.