CID 10176511

2-butyl-1,3-diazaspiro[4.4]non-1-en-4-one hydrochloride

Structural Information

Molecular Formula
C11H18N2O
SMILES
CCCCC1=NC2(CCCC2)C(=O)N1
InChI
InChI=1S/C11H18N2O/c1-2-3-6-9-12-10(14)11(13-9)7-4-5-8-11/h2-8H2,1H3,(H,12,13,14)
InChIKey
IWKWOYOVCXHXSS-UHFFFAOYSA-N
Compound name
2-butyl-1,3-diazaspiro[4.4]non-1-en-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

294
Patents

194.1419 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 195.149176 146.2
[M+Na]+ 217.131118 153.2
[M-H]- 193.134624 147.6
[M+NH4]+ 212.175723 168.1
[M+K]+ 233.105058 150.1
[M+H-H2O]+ 177.139160 139.6
[M+HCOO]- 239.140101 165.1
[M+CH3COO]- 253.155751 179.3
[M+Na-2H]- 215.116566 148.1
[M]+ 194.14135142 142.8
[M]- 194.14244858 142.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe