CID 4156446

Cyclohexanamine, n-[(4-iodo-1,3-benzodioxol-5-yl)methylene]-

Structural Information

Molecular Formula
C14H16INO2
SMILES
C1CCC(CC1)N=CC2=C(C3=C(C=C2)OCO3)I
InChI
InChI=1S/C14H16INO2/c15-13-10(6-7-12-14(13)18-9-17-12)8-16-11-4-2-1-3-5-11/h6-8,11H,1-5,9H2
InChIKey
BANKLVPEDHQCGY-UHFFFAOYSA-N
Compound name
N-cyclohexyl-1-(4-iodo-1,3-benzodioxol-5-yl)methanimine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

357.02258 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 358.02986 163.6
[M+Na]+ 380.01180 162.2
[M-H]- 356.01530 165.2
[M+NH4]+ 375.05640 176.1
[M+K]+ 395.98574 166.9
[M+H-H2O]+ 340.01984 153.1
[M+HCOO]- 402.02078 178.7
[M+CH3COO]- 416.03643 171.4
[M+Na-2H]- 377.99725 156.7
[M]+ 357.02203 159.1
[M]- 357.02313 159.1
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.