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]+ 218.19032 154.7
[M+Na]+ 240.17226 158.3
[M-H]- 216.17576 160.1
[M+NH4]+ 235.21686 174.2
[M+K]+ 256.14620 155.3
[M+H-H2O]+ 200.18030 147.9
[M+HCOO]- 262.18124 175.1
[M+CH3COO]- 276.19689 192.7
[M+Na-2H]- 238.15771 153.9
[M]+ 217.18249 149.5
[M]- 217.18359 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.