CID 12242305

1-methyl-1,4-diazocane dihydrochloride

Structural Information

Molecular Formula
C7H16N2
SMILES
CN1CCCCNCC1
InChI
InChI=1S/C7H16N2/c1-9-6-3-2-4-8-5-7-9/h8H,2-7H2,1H3
InChIKey
PAAPABZWHJCWPH-UHFFFAOYSA-N
Compound name
1-methyl-1,4-diazocane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

17
Patents

128.13135 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 129.138626 138.9
[M+Na]+ 151.120568 142.9
[M-H]- 127.124074 138.6
[M+NH4]+ 146.165173 147.4
[M+K]+ 167.094508 143.4
[M+H-H2O]+ 111.128610 135.0
[M+HCOO]- 173.129551 146.5
[M+CH3COO]- 187.145201 216.1
[M+Na-2H]- 149.106016 140.1
[M]+ 128.13080142 135.9
[M]- 128.13189858 135.9
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