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]+ 196.144436 139.4
[M+Na]+ 218.126378 143.0
[M-H]- 194.129884 137.5
[M+NH4]+ 213.170983 151.6
[M+K]+ 234.100318 143.9
[M+H-H2O]+ 178.134420 125.2
[M+HCOO]- 240.135361 150.1
[M+CH3COO]- 254.151011 192.2
[M+Na-2H]- 216.111826 142.0
[M]+ 195.13661142 126.0
[M]- 195.13770858 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.