CID 44119108

1,9-diazaspiro[5.5]undec-3-en-2-one hydrochloride

Structural Information

Molecular Formula
C9H14N2O
SMILES
C1CNCCC12CC=CC(=O)N2
InChI
InChI=1S/C9H14N2O/c12-8-2-1-3-9(11-8)4-6-10-7-5-9/h1-2,10H,3-7H2,(H,11,12)
InChIKey
KHXKVFVWPJPKOX-UHFFFAOYSA-N
Compound name
1,9-diazaspiro[5.5]undec-3-en-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

166.11061 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 167.117886 138.6
[M+Na]+ 189.099828 143.3
[M-H]- 165.103334 137.7
[M+NH4]+ 184.144433 156.7
[M+K]+ 205.073768 139.6
[M+H-H2O]+ 149.107870 131.4
[M+HCOO]- 211.108811 152.1
[M+CH3COO]- 225.124461 148.7
[M+Na-2H]- 187.085276 144.8
[M]+ 166.11006142 127.8
[M]- 166.11115858 127.8
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.