CID 1225187

Ns00125657

Structural Information

Molecular Formula
C15H23N
SMILES
C[C@@H](C1=CC=CC=C1)NCC2CCCCC2
InChI
InChI=1S/C15H23N/c1-13(15-10-6-3-7-11-15)16-12-14-8-4-2-5-9-14/h3,6-7,10-11,13-14,16H,2,4-5,8-9,12H2,1H3/t13-/m0/s1
InChIKey
UHABCGJJMSQRRP-ZDUSSCGKSA-N
Compound name
(1S)-N-(cyclohexylmethyl)-1-phenylethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

217.18304 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 218.190316 152.8
[M+Na]+ 240.172258 154.7
[M-H]- 216.175764 157.7
[M+NH4]+ 235.216863 170.2
[M+K]+ 256.146198 151.6
[M+H-H2O]+ 200.180300 145.1
[M+HCOO]- 262.181241 172.5
[M+CH3COO]- 276.196891 191.8
[M+Na-2H]- 238.157706 156.4
[M]+ 217.18249142 146.5
[M]- 217.18358858 146.5
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.