CID 4208215

N,n-dimethyl-4-(4-iodocyclohexyl)cyclohexylamine

Structural Information

Molecular Formula
C14H26IN
SMILES
CN(C)C1CCC(CC1)C2CCC(CC2)I
InChI
InChI=1S/C14H26IN/c1-16(2)14-9-5-12(6-10-14)11-3-7-13(15)8-4-11/h11-14H,3-10H2,1-2H3
InChIKey
XIJDRAHJSVIOHV-UHFFFAOYSA-N
Compound name
4-(4-iodocyclohexyl)-N,N-dimethylcyclohexan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

335.111 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 336.11828 163.1
[M+Na]+ 358.10022 157.5
[M-H]- 334.10372 161.7
[M+NH4]+ 353.14482 176.1
[M+K]+ 374.07416 161.8
[M+H-H2O]+ 318.10826 152.0
[M+HCOO]- 380.10920 175.1
[M+CH3COO]- 394.12485 205.2
[M+Na-2H]- 356.08567 151.1
[M]+ 335.11045 152.6
[M]- 335.11155 152.6
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.