CID 43685858

6-chloro-n-cyclohexyl-2h-1,3-benzodioxol-5-amine hydrochloride

Structural Information

Molecular Formula
C13H16ClNO2
SMILES
C1CCC(CC1)NC2=CC3=C(C=C2Cl)OCO3
InChI
InChI=1S/C13H16ClNO2/c14-10-6-12-13(17-8-16-12)7-11(10)15-9-4-2-1-3-5-9/h6-7,9,15H,1-5,8H2
InChIKey
ODGSAKTXXXUKIB-UHFFFAOYSA-N
Compound name
6-chloro-N-cyclohexyl-1,3-benzodioxol-5-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

253.08696 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 254.09424 156.6
[M+Na]+ 276.07618 162.9
[M-H]- 252.07968 164.5
[M+NH4]+ 271.12078 174.1
[M+K]+ 292.05012 160.4
[M+H-H2O]+ 236.08422 150.7
[M+HCOO]- 298.08516 171.0
[M+CH3COO]- 312.10081 168.5
[M+Na-2H]- 274.06163 161.4
[M]+ 253.08641 155.5
[M]- 253.08751 155.5
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.