CID 16228720

2-(1,4-diazepan-1-yl)acetamide dihydrochloride

Structural Information

Molecular Formula
C7H15N3O
SMILES
C1CNCCN(C1)CC(=O)N
InChI
InChI=1S/C7H15N3O/c8-7(11)6-10-4-1-2-9-3-5-10/h9H,1-6H2,(H2,8,11)
InChIKey
TUDVAMWISALGGV-UHFFFAOYSA-N
Compound name
2-(1,4-diazepan-1-yl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

17
Patents

157.1215 Da
Monoisotopic Mass

-1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 158.12878 131.6
[M+Na]+ 180.11072 134.0
[M-H]- 156.11422 131.0
[M+NH4]+ 175.15532 146.9
[M+K]+ 196.08466 136.9
[M+H-H2O]+ 140.11876 123.5
[M+HCOO]- 202.11970 147.7
[M+CH3COO]- 216.13535 177.5
[M+Na-2H]- 178.09617 135.4
[M]+ 157.12095 121.3
[M]- 157.12205 121.3
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