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

20
Patents

157.1215 Da
Monoisotopic Mass

-1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 158.128776 131.6
[M+Na]+ 180.110718 134.0
[M-H]- 156.114224 131.0
[M+NH4]+ 175.155323 146.9
[M+K]+ 196.084658 136.9
[M+H-H2O]+ 140.118760 123.5
[M+HCOO]- 202.119701 147.7
[M+CH3COO]- 216.135351 177.5
[M+Na-2H]- 178.096166 135.4
[M]+ 157.12095142 121.3
[M]- 157.12204858 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