CID 77131476

2-(2-chloro-5-methylphenyl)pyrrolidine hydrochloride

Structural Information

Molecular Formula
C11H14ClN
SMILES
CC1=CC(=C(C=C1)Cl)C2CCCN2
InChI
InChI=1S/C11H14ClN/c1-8-4-5-10(12)9(7-8)11-3-2-6-13-11/h4-5,7,11,13H,2-3,6H2,1H3
InChIKey
JPODNSQCQXXELK-UHFFFAOYSA-N
Compound name
2-(2-chloro-5-methylphenyl)pyrrolidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

195.08148 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 196.08876 143.1
[M+Na]+ 218.07070 151.2
[M-H]- 194.07420 146.8
[M+NH4]+ 213.11530 163.3
[M+K]+ 234.04464 145.7
[M+H-H2O]+ 178.07874 136.9
[M+HCOO]- 240.07968 158.9
[M+CH3COO]- 254.09533 155.6
[M+Na-2H]- 216.05615 145.7
[M]+ 195.08093 140.4
[M]- 195.08203 140.4
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.