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]+ 218.19032 153.9
[M+Na]+ 240.17226 157.8
[M-H]- 216.17576 161.1
[M+NH4]+ 235.21686 174.3
[M+K]+ 256.14620 156.1
[M+H-H2O]+ 200.18030 146.6
[M+HCOO]- 262.18124 176.3
[M+CH3COO]- 276.19689 196.0
[M+Na-2H]- 238.15771 154.5
[M]+ 217.18249 151.5
[M]- 217.18359 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.