CID 47003402

1-cyclohexyl-3-phenylpropan-2-amine

Structural Information

Molecular Formula
C15H23N
SMILES
C1CCC(CC1)CC(CC2=CC=CC=C2)N
InChI
InChI=1S/C15H23N/c16-15(11-13-7-3-1-4-8-13)12-14-9-5-2-6-10-14/h1,3-4,7-8,14-15H,2,5-6,9-12,16H2
InChIKey
VGVMDWYLACEBAM-UHFFFAOYSA-N
Compound name
1-cyclohexyl-3-phenylpropan-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

217.18304 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 218.19032 153.4
[M+Na]+ 240.17226 155.3
[M-H]- 216.17576 157.8
[M+NH4]+ 235.21686 170.5
[M+K]+ 256.14620 151.8
[M+H-H2O]+ 200.18030 145.7
[M+HCOO]- 262.18124 172.5
[M+CH3COO]- 276.19689 191.1
[M+Na-2H]- 238.15771 156.0
[M]+ 217.18249 146.1
[M]- 217.18359 146.1
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.