CID 5039009

827326-63-6

Structural Information

Molecular Formula
C13H18Cl2N2
SMILES
C1CCN(C1)CCNCC2=CC(=C(C=C2)Cl)Cl
InChI
InChI=1S/C13H18Cl2N2/c14-12-4-3-11(9-13(12)15)10-16-5-8-17-6-1-2-7-17/h3-4,9,16H,1-2,5-8,10H2
InChIKey
VVLFUMKYXMNTGR-UHFFFAOYSA-N
Compound name
N-[(3,4-dichlorophenyl)methyl]-2-pyrrolidin-1-ylethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

272.08472 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 273.09200 163.7
[M+Na]+ 295.07394 170.6
[M-H]- 271.07744 167.2
[M+NH4]+ 290.11854 181.2
[M+K]+ 311.04788 164.0
[M+H-H2O]+ 255.08198 156.5
[M+HCOO]- 317.08292 175.9
[M+CH3COO]- 331.09857 197.6
[M+Na-2H]- 293.05939 164.9
[M]+ 272.08417 163.7
[M]- 272.08527 163.7
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

patents stripe