CID 83816279

1,4-dioxaspiro[5.5]undecan-9-amine hydrochloride

Structural Information

Molecular Formula
C9H17NO2
SMILES
C1CC2(CCC1N)COCCO2
InChI
InChI=1S/C9H17NO2/c10-8-1-3-9(4-2-8)7-11-5-6-12-9/h8H,1-7,10H2
InChIKey
JDKQQRVWDJKDOC-UHFFFAOYSA-N
Compound name
1,4-dioxaspiro[5.5]undecan-9-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

171.12593 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 172.13321 137.7
[M+Na]+ 194.11515 141.2
[M-H]- 170.11865 142.9
[M+NH4]+ 189.15975 156.6
[M+K]+ 210.08909 142.3
[M+H-H2O]+ 154.12319 131.6
[M+HCOO]- 216.12413 154.0
[M+CH3COO]- 230.13978 177.4
[M+Na-2H]- 192.10060 145.1
[M]+ 171.12538 129.9
[M]- 171.12648 129.9
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

No patent data available for this compound.