CID 213764

Brn 1534665

Structural Information

Molecular Formula
C13H16Cl2N2
SMILES
CC(C)N1CCCC1=NC2=CC(=C(C=C2)Cl)Cl
InChI
InChI=1S/C13H16Cl2N2/c1-9(2)17-7-3-4-13(17)16-10-5-6-11(14)12(15)8-10/h5-6,8-9H,3-4,7H2,1-2H3
InChIKey
YQBGWRXROMKLMU-UHFFFAOYSA-N
Compound name
N-(3,4-dichlorophenyl)-1-propan-2-ylpyrrolidin-2-imine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

270.06906 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 271.07634 163.1
[M+Na]+ 293.05828 171.5
[M-H]- 269.06178 168.7
[M+NH4]+ 288.10288 181.8
[M+K]+ 309.03222 165.7
[M+H-H2O]+ 253.06632 156.3
[M+HCOO]- 315.06726 176.1
[M+CH3COO]- 329.08291 200.6
[M+Na-2H]- 291.04373 163.0
[M]+ 270.06851 164.2
[M]- 270.06961 164.2
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