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]+ 218.19032 152.0
[M+Na]+ 240.17226 159.0
[M-H]- 216.17576 157.1
[M+NH4]+ 235.21686 173.3
[M+K]+ 256.14620 155.6
[M+H-H2O]+ 200.18030 145.1
[M+HCOO]- 262.18124 172.8
[M+CH3COO]- 276.19689 190.1
[M+Na-2H]- 238.15771 154.7
[M]+ 217.18249 150.9
[M]- 217.18359 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.