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]+ 254.130616 158.3
[M+Na]+ 276.112558 164.6
[M-H]- 252.116064 163.8
[M+NH4]+ 271.157163 177.6
[M+K]+ 292.086498 159.8
[M+H-H2O]+ 236.120600 152.3
[M+HCOO]- 298.121541 174.5
[M+CH3COO]- 312.137191 194.8
[M+Na-2H]- 274.098006 161.8
[M]+ 253.12279142 156.0
[M]- 253.12388858 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.