CID 3563134

2-(4-methylphenyl)pyrrolidine

Structural Information

Molecular Formula
C11H15N
SMILES
CC1=CC=C(C=C1)C2CCCN2
InChI
InChI=1S/C11H15N/c1-9-4-6-10(7-5-9)11-3-2-8-12-11/h4-7,11-12H,2-3,8H2,1H3
InChIKey
TXFISDWSKUHPET-UHFFFAOYSA-N
Compound name
2-(4-methylphenyl)pyrrolidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

77
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 136.9
[M+Na]+ 184.10967 149.2
[M+NH4]+ 179.15427 146.5
[M+K]+ 200.08361 143.5
[M-H]- 160.11317 140.5
[M+Na-2H]- 182.09512 144.4
[M]+ 161.11990 139.6
[M]- 161.12100 139.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

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Patent stripe

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