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

120
Patents

171.12593 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 172.133206 137.4
[M+Na]+ 194.115148 141.7
[M-H]- 170.118654 142.7
[M+NH4]+ 189.159753 158.1
[M+K]+ 210.089088 142.5
[M+H-H2O]+ 154.123190 132.1
[M+HCOO]- 216.124131 155.8
[M+CH3COO]- 230.139781 176.9
[M+Na-2H]- 192.100596 143.4
[M]+ 171.12538142 131.7
[M]- 171.12647858 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