CID 3056576

73806-38-9

Structural Information

Molecular Formula
C14H20ClNO
SMILES
COC1=CC=CC(=C1)C2(CCCCC2CN)Cl
InChI
InChI=1S/C14H20ClNO/c1-17-13-7-4-6-11(9-13)14(15)8-3-2-5-12(14)10-16/h4,6-7,9,12H,2-3,5,8,10,16H2,1H3
InChIKey
JOQQPFMZRONACM-UHFFFAOYSA-N
Compound name
[2-chloro-2-(3-methoxyphenyl)cyclohexyl]methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

253.12334 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 254.13062 158.3
[M+Na]+ 276.11256 164.6
[M-H]- 252.11606 163.8
[M+NH4]+ 271.15716 177.6
[M+K]+ 292.08650 159.8
[M+H-H2O]+ 236.12060 152.3
[M+HCOO]- 298.12154 174.5
[M+CH3COO]- 312.13719 194.8
[M+Na-2H]- 274.09801 161.8
[M]+ 253.12279 156.0
[M]- 253.12389 156.0
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.