CID 24694170

2-(1,4-diazepan-1-yl)-n-(prop-2-yn-1-yl)acetamide dihydrochloride

Structural Information

Molecular Formula
C10H17N3O
SMILES
C#CCNC(=O)CN1CCCNCC1
InChI
InChI=1S/C10H17N3O/c1-2-4-12-10(14)9-13-7-3-5-11-6-8-13/h1,11H,3-9H2,(H,12,14)
InChIKey
ORVDIYFYEXKZJA-UHFFFAOYSA-N
Compound name
2-(1,4-diazepan-1-yl)-N-prop-2-ynylacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

195.13716 Da
Monoisotopic Mass

-0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 196.14444 139.4
[M+Na]+ 218.12638 143.0
[M-H]- 194.12988 137.5
[M+NH4]+ 213.17098 151.6
[M+K]+ 234.10032 143.9
[M+H-H2O]+ 178.13442 125.2
[M+HCOO]- 240.13536 150.1
[M+CH3COO]- 254.15101 192.2
[M+Na-2H]- 216.11183 142.0
[M]+ 195.13661 126.0
[M]- 195.13771 126.0
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.