CID 3057974

74332-83-5

Structural Information

Molecular Formula
C15H23N
SMILES
CC(C)CC(C1=CC=CC=C1)N2CCCC2
InChI
InChI=1S/C15H23N/c1-13(2)12-15(16-10-6-7-11-16)14-8-4-3-5-9-14/h3-5,8-9,13,15H,6-7,10-12H2,1-2H3
InChIKey
LVSWGUYBWPLWKM-UHFFFAOYSA-N
Compound name
1-(3-methyl-1-phenylbutyl)pyrrolidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
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 154.8
[M+Na]+ 240.172258 158.3
[M-H]- 216.175764 158.9
[M+NH4]+ 235.216863 173.2
[M+K]+ 256.146198 155.7
[M+H-H2O]+ 200.180300 146.9
[M+HCOO]- 262.181241 173.4
[M+CH3COO]- 276.196891 190.1
[M+Na-2H]- 238.157706 155.2
[M]+ 217.18249142 151.4
[M]- 217.18358858 151.4
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