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]+ 269.060676 162.7
[M+Na]+ 291.042618 171.7
[M-H]- 267.046124 168.1
[M+NH4]+ 286.087223 181.4
[M+K]+ 307.016558 164.7
[M+H-H2O]+ 251.050660 155.7
[M+HCOO]- 313.051601 176.8
[M+CH3COO]- 327.067251 198.9
[M+Na-2H]- 289.028066 163.6
[M]+ 268.05285142 163.5
[M]- 268.05394858 163.5
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.