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]+ 186.160096 140.4
[M+Na]+ 208.142038 141.9
[M-H]- 184.145544 139.9
[M+NH4]+ 203.186643 154.9
[M+K]+ 224.115978 144.7
[M+H-H2O]+ 168.150080 131.9
[M+HCOO]- 230.151021 156.4
[M+CH3COO]- 244.166671 183.2
[M+Na-2H]- 206.127486 144.0
[M]+ 185.15227142 131.5
[M]- 185.15336858 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.