CID 3062313

80649-46-3

Structural Information

Molecular Formula
C15H23N
SMILES
CC(C1=CC=C(C=C1)C2CCCC2)N(C)C
InChI
InChI=1S/C15H23N/c1-12(16(2)3)13-8-10-15(11-9-13)14-6-4-5-7-14/h8-12,14H,4-7H2,1-3H3
InChIKey
ROPHJFHHQXQHQT-UHFFFAOYSA-N
Compound name
1-(4-cyclopentylphenyl)-N,N-dimethylethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

217.18304 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 218.190316 153.9
[M+Na]+ 240.172258 157.8
[M-H]- 216.175764 161.1
[M+NH4]+ 235.216863 174.3
[M+K]+ 256.146198 156.1
[M+H-H2O]+ 200.180300 146.6
[M+HCOO]- 262.181241 176.3
[M+CH3COO]- 276.196891 196.0
[M+Na-2H]- 238.157706 154.5
[M]+ 217.18249142 151.5
[M]- 217.18358858 151.5
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.