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]+ 167.11789 138.6
[M+Na]+ 189.09983 143.3
[M-H]- 165.10333 137.7
[M+NH4]+ 184.14443 156.7
[M+K]+ 205.07377 139.6
[M+H-H2O]+ 149.10787 131.4
[M+HCOO]- 211.10881 152.1
[M+CH3COO]- 225.12446 148.7
[M+Na-2H]- 187.08528 144.8
[M]+ 166.11006 127.8
[M]- 166.11116 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.