CID 22291191

3,9-diazaspiro[5.5]undecane dihydrochloride

Structural Information

Molecular Formula
C9H18N2
SMILES
C1CNCCC12CCNCC2
InChI
InChI=1S/C9H18N2/c1-5-10-6-2-9(1)3-7-11-8-4-9/h10-11H,1-8H2
InChIKey
YNKVCLQNSSTHTD-UHFFFAOYSA-N
Compound name
3,9-diazaspiro[5.5]undecane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

1873
Patents

154.147 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 155.15428 138.7
[M+Na]+ 177.13622 141.0
[M-H]- 153.13972 137.0
[M+NH4]+ 172.18082 156.9
[M+K]+ 193.11016 137.7
[M+H-H2O]+ 137.14426 131.1
[M+HCOO]- 199.14520 150.3
[M+CH3COO]- 213.16085 147.9
[M+Na-2H]- 175.12167 144.4
[M]+ 154.14645 125.3
[M]- 154.14755 125.3
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