CID 71054

Cyclohexane, 1,4-bis(hexahydroazepinylmethyl)-, dihydrochloride, (e)-

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 181.4
[M+Na]+ 329.29272 179.8
[M-H]- 305.29622 186.4
[M+NH4]+ 324.33732 190.0
[M+K]+ 345.26666 178.9
[M+H-H2O]+ 289.30076 171.9
[M+HCOO]- 351.30170 188.7
[M+CH3COO]- 365.31735 185.8
[M+Na-2H]- 327.27817 178.1
[M]+ 306.30295 166.1
[M]- 306.30405 166.1
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

No patent data available for this compound.