CID 165598348

Cyclopentyl[3-(propan-2-yl)phenyl]methanamine hydrochloride

Structural Information

Molecular Formula
C15H23N
SMILES
CC(C)C1=CC(=CC=C1)C(C2CCCC2)N
InChI
InChI=1S/C15H23N/c1-11(2)13-8-5-9-14(10-13)15(16)12-6-3-4-7-12/h5,8-12,15H,3-4,6-7,16H2,1-2H3
InChIKey
XXJGRRDAUCFFQE-UHFFFAOYSA-N
Compound name
cyclopentyl-(3-propan-2-ylphenyl)methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

217.18304 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 218.190316 154.7
[M+Na]+ 240.172258 158.3
[M-H]- 216.175764 160.1
[M+NH4]+ 235.216863 174.2
[M+K]+ 256.146198 155.3
[M+H-H2O]+ 200.180300 147.9
[M+HCOO]- 262.181241 175.1
[M+CH3COO]- 276.196891 192.7
[M+Na-2H]- 238.157706 153.9
[M]+ 217.18249142 149.5
[M]- 217.18358858 149.5
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.