CID 16772381

1-(3-furoyl)-1,4-diazepane

Structural Information

Molecular Formula
C10H14N2O2
SMILES
C1CNCCN(C1)C(=O)C2=COC=C2
InChI
InChI=1S/C10H14N2O2/c13-10(9-2-7-14-8-9)12-5-1-3-11-4-6-12/h2,7-8,11H,1,3-6H2
InChIKey
HVPYRRBZJNYSJM-UHFFFAOYSA-N
Compound name
1,4-diazepan-1-yl(furan-3-yl)methanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

194.10553 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 195.11281 144.6
[M+Na]+ 217.09475 152.7
[M+NH4]+ 212.13935 150.9
[M+K]+ 233.06869 151.3
[M-H]- 193.09825 146.4
[M+Na-2H]- 215.08020 149.0
[M]+ 194.10498 146.0
[M]- 194.10608 146.0
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.