CID 22975586

1,9-diaza-spiro[5.5]undecan-2-one hydrochloride

Structural Information

Molecular Formula
C9H16N2O
SMILES
C1CC(=O)NC2(C1)CCNCC2
InChI
InChI=1S/C9H16N2O/c12-8-2-1-3-9(11-8)4-6-10-7-5-9/h10H,1-7H2,(H,11,12)
InChIKey
ROVQEFKRZNILIZ-UHFFFAOYSA-N
Compound name
1,9-diazaspiro[5.5]undecan-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

34
Patents

168.12627 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 169.13355 140.6
[M+Na]+ 191.11549 144.3
[M-H]- 167.11899 139.4
[M+NH4]+ 186.16009 158.6
[M+K]+ 207.08943 140.8
[M+H-H2O]+ 151.12353 133.4
[M+HCOO]- 213.12447 152.7
[M+CH3COO]- 227.14012 150.1
[M+Na-2H]- 189.10094 145.7
[M]+ 168.12572 128.4
[M]- 168.12682 128.4
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