CID 47534

2-(2-(cyclohexylamino)ethyl)-2-methyl-1,3-benzodioxole hydrochloride

Structural Information

Molecular Formula
C16H23NO2
SMILES
CC1(OC2=CC=CC=C2O1)CCNC3CCCCC3
InChI
InChI=1S/C16H23NO2/c1-16(11-12-17-13-7-3-2-4-8-13)18-14-9-5-6-10-15(14)19-16/h5-6,9-10,13,17H,2-4,7-8,11-12H2,1H3
InChIKey
STZXPAQNXBSHMM-UHFFFAOYSA-N
Compound name
N-[2-(2-methyl-1,3-benzodioxol-2-yl)ethyl]cyclohexanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

261.17288 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 262.18016 162.7
[M+Na]+ 284.16210 173.5
[M+NH4]+ 279.20670 173.3
[M+K]+ 300.13604 166.4
[M-H]- 260.16560 170.0
[M+Na-2H]- 282.14755 168.8
[M]+ 261.17233 166.4
[M]- 261.17343 166.4
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.