CID 24273721

1-[1-(2-methoxyphenyl)cyclohexyl]methanamine

Structural Information

Molecular Formula
C14H21NO
SMILES
COC1=CC=CC=C1C2(CCCCC2)CN
InChI
InChI=1S/C14H21NO/c1-16-13-8-4-3-7-12(13)14(11-15)9-5-2-6-10-14/h3-4,7-8H,2,5-6,9-11,15H2,1H3
InChIKey
NCTHUKAOSKHWBG-UHFFFAOYSA-N
Compound name
[1-(2-methoxyphenyl)cyclohexyl]methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

219.16231 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 220.169586 152.0
[M+Na]+ 242.151528 156.6
[M-H]- 218.155034 157.4
[M+NH4]+ 237.196133 171.5
[M+K]+ 258.125468 153.7
[M+H-H2O]+ 202.159570 145.0
[M+HCOO]- 264.160511 172.7
[M+CH3COO]- 278.176161 189.9
[M+Na-2H]- 240.136976 156.7
[M]+ 219.16176142 147.2
[M]- 219.16285858 147.2
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

patents stripe