CID 4222003

2-[(2-chlorophenyl)methyl]pyrrolidine hydrochloride

Structural Information

Molecular Formula
C11H14ClN
SMILES
C1CC(NC1)CC2=CC=CC=C2Cl
InChI
InChI=1S/C11H14ClN/c12-11-6-2-1-4-9(11)8-10-5-3-7-13-10/h1-2,4,6,10,13H,3,5,7-8H2
InChIKey
DPKCYWNTWVXNKT-UHFFFAOYSA-N
Compound name
2-[(2-chlorophenyl)methyl]pyrrolidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

16
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 143.3
[M+Na]+ 218.070698 150.4
[M-H]- 194.074204 146.6
[M+NH4]+ 213.115303 163.1
[M+K]+ 234.044638 144.9
[M+H-H2O]+ 178.078740 136.8
[M+HCOO]- 240.079681 159.1
[M+CH3COO]- 254.095331 155.4
[M+Na-2H]- 216.056146 146.6
[M]+ 195.08093142 140.1
[M]- 195.08202858 140.1
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