CID 3087179

113524-40-6

Structural Information

Molecular Formula
C15H23NO
SMILES
CC(C1CCC(CC1)C2=CC=C(C=C2)OC)N
InChI
InChI=1S/C15H23NO/c1-11(16)12-3-5-13(6-4-12)14-7-9-15(17-2)10-8-14/h7-13H,3-6,16H2,1-2H3
InChIKey
OEUDCARAEOJKBZ-UHFFFAOYSA-N
Compound name
1-[4-(4-methoxyphenyl)cyclohexyl]ethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

233.17796 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 234.185236 156.6
[M+Na]+ 256.167178 160.4
[M-H]- 232.170684 161.8
[M+NH4]+ 251.211783 173.7
[M+K]+ 272.141118 157.5
[M+H-H2O]+ 216.175220 149.2
[M+HCOO]- 278.176161 175.9
[M+CH3COO]- 292.191811 195.4
[M+Na-2H]- 254.152626 157.7
[M]+ 233.17741142 151.6
[M]- 233.17850858 151.6
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.