CID 70870

1155-70-0

Structural Information

Molecular Formula
C18H34N2
SMILES
C1CCC(C1)NCC2CCC(CC2)CNC3CCCC3
InChI
InChI=1S/C18H34N2/c1-2-6-17(5-1)19-13-15-9-11-16(12-10-15)14-20-18-7-3-4-8-18/h15-20H,1-14H2
InChIKey
KGMHTOSSKCRUIC-UHFFFAOYSA-N
Compound name
N-[[4-[(cyclopentylamino)methyl]cyclohexyl]methyl]cyclopentanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

278.2722 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 279.27948 170.5
[M+Na]+ 301.26142 168.3
[M-H]- 277.26492 177.2
[M+NH4]+ 296.30602 188.2
[M+K]+ 317.23536 164.6
[M+H-H2O]+ 261.26946 162.0
[M+HCOO]- 323.27040 188.3
[M+CH3COO]- 337.28605 203.4
[M+Na-2H]- 299.24687 167.1
[M]+ 278.27165 159.0
[M]- 278.27275 159.0
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