CID 28946198

1-[2-(chloromethyl)phenyl]pyrrolidine hydrochloride

Structural Information

Molecular Formula
C11H14ClN
SMILES
C1CCN(C1)C2=CC=CC=C2CCl
InChI
InChI=1S/C11H14ClN/c12-9-10-5-1-2-6-11(10)13-7-3-4-8-13/h1-2,5-6H,3-4,7-9H2
InChIKey
HWLMTTNCCYJFRR-UHFFFAOYSA-N
Compound name
1-[2-(chloromethyl)phenyl]pyrrolidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

195.08148 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 196.088756 143.0
[M+Na]+ 218.070698 150.5
[M-H]- 194.074204 147.6
[M+NH4]+ 213.115303 163.5
[M+K]+ 234.044638 145.9
[M+H-H2O]+ 178.078740 136.1
[M+HCOO]- 240.079681 160.2
[M+CH3COO]- 254.095331 155.7
[M+Na-2H]- 216.056146 146.6
[M]+ 195.08093142 141.6
[M]- 195.08202858 141.6
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

patents stripe