CID 10953978

1,4-dioxaspiro[4.5]decane-8-methanamine

Structural Information

Molecular Formula
C9H17NO2
SMILES
C1CC2(CCC1CN)OCCO2
InChI
InChI=1S/C9H17NO2/c10-7-8-1-3-9(4-2-8)11-5-6-12-9/h8H,1-7,10H2
InChIKey
OEBYRQFXIBUGSR-UHFFFAOYSA-N
Compound name
1,4-dioxaspiro[4.5]decan-8-ylmethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

126
Patents

171.12593 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 172.13321 137.4
[M+Na]+ 194.11515 141.7
[M-H]- 170.11865 142.7
[M+NH4]+ 189.15975 158.1
[M+K]+ 210.08909 142.5
[M+H-H2O]+ 154.12319 132.1
[M+HCOO]- 216.12413 155.8
[M+CH3COO]- 230.13978 176.9
[M+Na-2H]- 192.10060 143.4
[M]+ 171.12538 131.7
[M]- 171.12648 131.7
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

patents stripe