CID 3063424

Erl-552

Structural Information

Molecular Formula
C14H19Cl2N
SMILES
CC1=CC=C(C=C1)CN2C(CCC2CCl)CCl
InChI
InChI=1S/C14H19Cl2N/c1-11-2-4-12(5-3-11)10-17-13(8-15)6-7-14(17)9-16/h2-5,13-14H,6-10H2,1H3
InChIKey
DNVOTVYWTLBHSA-UHFFFAOYSA-N
Compound name
2,5-bis(chloromethyl)-1-[(4-methylphenyl)methyl]pyrrolidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

271.08945 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 272.09673 160.8
[M+Na]+ 294.07867 175.1
[M+NH4]+ 289.12327 170.5
[M+K]+ 310.05261 167.2
[M-H]- 270.08217 164.6
[M+Na-2H]- 292.06412 167.6
[M]+ 271.08890 164.6
[M]- 271.09000 164.6
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.