CID 16775183

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

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

32
Patents

185.15282 Da
Monoisotopic Mass

-0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 186.160096 139.0
[M+Na]+ 208.142038 140.9
[M-H]- 184.145544 140.0
[M+NH4]+ 203.186643 154.2
[M+K]+ 224.115978 144.9
[M+H-H2O]+ 168.150080 130.6
[M+HCOO]- 230.151021 155.6
[M+CH3COO]- 244.166671 186.4
[M+Na-2H]- 206.127486 142.2
[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

patents stripe