CID 77481

3875-01-2

Structural Information

Molecular Formula
C20H38N2
SMILES
C1CCC(C1)CNCC2CCC(CC2)CNCC3CCCC3
InChI
InChI=1S/C20H38N2/c1-2-6-17(5-1)13-21-15-19-9-11-20(12-10-19)16-22-14-18-7-3-4-8-18/h17-22H,1-16H2
InChIKey
UXKQDFBZTWMONI-UHFFFAOYSA-N
Compound name
1-cyclopentyl-N-[[4-[(cyclopentylmethylamino)methyl]cyclohexyl]methyl]methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

306.3035 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 307.31078 179.0
[M+Na]+ 329.29272 175.9
[M-H]- 305.29622 185.3
[M+NH4]+ 324.33732 195.5
[M+K]+ 345.26666 171.7
[M+H-H2O]+ 289.30076 170.1
[M+HCOO]- 351.30170 196.1
[M+CH3COO]- 365.31735 209.4
[M+Na-2H]- 327.27817 174.5
[M]+ 306.30295 168.1
[M]- 306.30405 168.1
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