CID 3544098

2-(3-methylphenyl)pyrrolidine

Structural Information

Molecular Formula
C11H15N
SMILES
CC1=CC(=CC=C1)C2CCCN2
InChI
InChI=1S/C11H15N/c1-9-4-2-5-10(8-9)11-6-3-7-12-11/h2,4-5,8,11-12H,3,6-7H2,1H3
InChIKey
UUTBSNFHBOVJLI-UHFFFAOYSA-N
Compound name
2-(3-methylphenyl)pyrrolidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

154
Patents

161.12045 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 162.12773 135.7
[M+Na]+ 184.10967 142.1
[M-H]- 160.11317 139.4
[M+NH4]+ 179.15427 156.2
[M+K]+ 200.08361 138.6
[M+H-H2O]+ 144.11771 129.0
[M+HCOO]- 206.11865 156.3
[M+CH3COO]- 220.13430 148.4
[M+Na-2H]- 182.09512 139.7
[M]+ 161.11990 130.7
[M]- 161.12100 130.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe