CID 77131476

2247105-74-2

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 142.0
[M+Na]+ 218.07070 155.6
[M+NH4]+ 213.11530 151.9
[M+K]+ 234.04464 149.2
[M-H]- 194.07420 145.7
[M+Na-2H]- 216.05615 149.4
[M]+ 195.08093 145.3
[M]- 195.08203 145.3
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.