CID 408361

227017-79-0

Structural Information

Molecular Formula
C14H19NO2
SMILES
C1CCC(CC1)NCC2=CC3=C(C=C2)OCO3
InChI
InChI=1S/C14H19NO2/c1-2-4-12(5-3-1)15-9-11-6-7-13-14(8-11)17-10-16-13/h6-8,12,15H,1-5,9-10H2
InChIKey
FBAHREKIQKXPBS-UHFFFAOYSA-N
Compound name
N-(1,3-benzodioxol-5-ylmethyl)cyclohexanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

0
Patents

233.14159 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 234.14887 151.5
[M+Na]+ 256.13081 155.6
[M-H]- 232.13431 159.1
[M+NH4]+ 251.17541 168.7
[M+K]+ 272.10475 154.7
[M+H-H2O]+ 216.13885 144.7
[M+HCOO]- 278.13979 170.3
[M+CH3COO]- 292.15544 163.2
[M+Na-2H]- 254.11626 157.3
[M]+ 233.14104 148.2
[M]- 233.14214 148.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.