CID 13279012

2-(1,4-diazepan-1-yl)-n-ethylacetamide dihydrochloride

Structural Information

Molecular Formula
C9H19N3O
SMILES
CCNC(=O)CN1CCCNCC1
InChI
InChI=1S/C9H19N3O/c1-2-11-9(13)8-12-6-3-4-10-5-7-12/h10H,2-8H2,1H3,(H,11,13)
InChIKey
DAGWFEQLRDKANN-UHFFFAOYSA-N
Compound name
2-(1,4-diazepan-1-yl)-N-ethylacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

185.15282 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 186.16010 140.4
[M+Na]+ 208.14204 141.9
[M-H]- 184.14554 139.9
[M+NH4]+ 203.18664 154.9
[M+K]+ 224.11598 144.7
[M+H-H2O]+ 168.15008 131.9
[M+HCOO]- 230.15102 156.4
[M+CH3COO]- 244.16667 183.2
[M+Na-2H]- 206.12749 144.0
[M]+ 185.15227 131.5
[M]- 185.15337 131.5
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.