CID 64400118

1-(2-methoxyphenyl)-4,4-dimethylcyclohexan-1-amine

Structural Information

Molecular Formula
C15H23NO
SMILES
CC1(CCC(CC1)(C2=CC=CC=C2OC)N)C
InChI
InChI=1S/C15H23NO/c1-14(2)8-10-15(16,11-9-14)12-6-4-5-7-13(12)17-3/h4-7H,8-11,16H2,1-3H3
InChIKey
YLUITOWEFILKKS-UHFFFAOYSA-N
Compound name
1-(2-methoxyphenyl)-4,4-dimethylcyclohexan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

233.17796 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 234.18524 155.1
[M+Na]+ 256.16718 161.3
[M-H]- 232.17068 161.1
[M+NH4]+ 251.21178 176.5
[M+K]+ 272.14112 158.5
[M+H-H2O]+ 216.17522 148.9
[M+HCOO]- 278.17616 175.5
[M+CH3COO]- 292.19181 193.8
[M+Na-2H]- 254.15263 159.8
[M]+ 233.17741 151.5
[M]- 233.17851 151.5
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.