CID 200451

2088-52-0

Structural Information

Molecular Formula
C15H23N
SMILES
CCCC1(CCN(C1)C)C2=CC=CC(=C2)C
InChI
InChI=1S/C15H23N/c1-4-8-15(9-10-16(3)12-15)14-7-5-6-13(2)11-14/h5-7,11H,4,8-10,12H2,1-3H3
InChIKey
FQBIPKOLTLNHDX-UHFFFAOYSA-N
Compound name
1-methyl-3-(3-methylphenyl)-3-propylpyrrolidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

217.18304 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 218.190316 152.0
[M+Na]+ 240.172258 159.0
[M-H]- 216.175764 157.1
[M+NH4]+ 235.216863 173.3
[M+K]+ 256.146198 155.6
[M+H-H2O]+ 200.180300 145.1
[M+HCOO]- 262.181241 172.8
[M+CH3COO]- 276.196891 190.1
[M+Na-2H]- 238.157706 154.7
[M]+ 217.18249142 150.9
[M]- 217.18358858 150.9
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.