CID 18337181

3-(3-methylphenyl)pyrrolidine

Structural Information

Molecular Formula
C11H15N
SMILES
CC1=CC(=CC=C1)C2CCNC2
InChI
InChI=1S/C11H15N/c1-9-3-2-4-10(7-9)11-5-6-12-8-11/h2-4,7,11-12H,5-6,8H2,1H3
InChIKey
HKCRRUSIWHNQMP-UHFFFAOYSA-N
Compound name
3-(3-methylphenyl)pyrrolidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

54
Patents

161.12045 Da
Monoisotopic Mass

2.0
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

No literature data available for this compound.

Patent stripe

patents stripe