CID 71054

1234-22-6

Structural Information

Molecular Formula
C20H38N2
SMILES
C1CCCN(CC1)CC2CCC(CC2)CN3CCCCCC3
InChI
InChI=1S/C20H38N2/c1-2-6-14-21(13-5-1)17-19-9-11-20(12-10-19)18-22-15-7-3-4-8-16-22/h19-20H,1-18H2
InChIKey
SPSZWLFECHEPCV-UHFFFAOYSA-N
Compound name
1-[[4-(azepan-1-ylmethyl)cyclohexyl]methyl]azepane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

306.3035 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 307.31078 189.9
[M+Na]+ 329.29272 194.0
[M+NH4]+ 324.33732 195.2
[M+K]+ 345.26666 189.3
[M-H]- 305.29622 192.9
[M+Na-2H]- 327.27817 192.3
[M]+ 306.30295 191.2
[M]- 306.30405 191.2
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.