CID 19019828

1-methyl-1,5-diazocane dihydrochloride

Structural Information

Molecular Formula
C7H16N2
SMILES
CN1CCCNCCC1
InChI
InChI=1S/C7H16N2/c1-9-6-2-4-8-5-3-7-9/h8H,2-7H2,1H3
InChIKey
FBMOOJFGIWOUJA-UHFFFAOYSA-N
Compound name
1-methyl-1,5-diazocane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

41
Patents

128.13135 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 129.13863 138.9
[M+Na]+ 151.12057 142.9
[M-H]- 127.12407 138.6
[M+NH4]+ 146.16517 147.4
[M+K]+ 167.09451 143.4
[M+H-H2O]+ 111.12861 135.0
[M+HCOO]- 173.12955 146.5
[M+CH3COO]- 187.14520 216.1
[M+Na-2H]- 149.10602 140.1
[M]+ 128.13080 135.9
[M]- 128.13190 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