CID 43685858

1423031-58-6

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]+ 254.094236 156.6
[M+Na]+ 276.076178 162.9
[M-H]- 252.079684 164.5
[M+NH4]+ 271.120783 174.1
[M+K]+ 292.050118 160.4
[M+H-H2O]+ 236.084220 150.7
[M+HCOO]- 298.085161 171.0
[M+CH3COO]- 312.100811 168.5
[M+Na-2H]- 274.061626 161.4
[M]+ 253.08641142 155.5
[M]- 253.08750858 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.