CID 70868

1155-65-3

Structural Information

Molecular Formula
C18H34N2
SMILES
C1CC(C1)CNCC2CCC(CC2)CNCC3CCC3
InChI
InChI=1S/C18H34N2/c1-3-15(4-1)11-19-13-17-7-9-18(10-8-17)14-20-12-16-5-2-6-16/h15-20H,1-14H2
InChIKey
MHKGUSRNUJFSII-UHFFFAOYSA-N
Compound name
1-cyclobutyl-N-[[4-[(cyclobutylmethylamino)methyl]cyclohexyl]methyl]methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

278.2722 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 279.27948 159.8
[M+Na]+ 301.26142 156.5
[M-H]- 277.26492 165.7
[M+NH4]+ 296.30602 161.5
[M+K]+ 317.23536 159.7
[M+H-H2O]+ 261.26946 141.4
[M+HCOO]- 323.27040 174.5
[M+CH3COO]- 337.28605 216.2
[M+Na-2H]- 299.24687 159.9
[M]+ 278.27165 168.6
[M]- 278.27275 168.6
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

patents stripe