CID 3057467

1-(o-chloro-alpha-methylbenzyl)pyrrolidine hydrochloride

Structural Information

Molecular Formula
C12H16ClN
SMILES
CC(C1=CC=CC=C1Cl)N2CCCC2
InChI
InChI=1S/C12H16ClN/c1-10(14-8-4-5-9-14)11-6-2-3-7-12(11)13/h2-3,6-7,10H,4-5,8-9H2,1H3
InChIKey
RPVUBMKNGJFFKX-UHFFFAOYSA-N
Compound name
1-[1-(2-chlorophenyl)ethyl]pyrrolidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

209.09712 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 210.10440 146.6
[M+Na]+ 232.08634 159.7
[M+NH4]+ 227.13094 156.5
[M+K]+ 248.06028 153.5
[M-H]- 208.08984 150.5
[M+Na-2H]- 230.07179 154.2
[M]+ 209.09657 149.8
[M]- 209.09767 149.8
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.