CID 11041163

(1,4-dioxaspiro[4.5]decan-2-yl)methanamine

Structural Information

Molecular Formula
C9H17NO2
SMILES
C1CCC2(CC1)OCC(O2)CN
InChI
InChI=1S/C9H17NO2/c10-6-8-7-11-9(12-8)4-2-1-3-5-9/h8H,1-7,10H2
InChIKey
FHXNYYFOSMSGPE-UHFFFAOYSA-N
Compound name
1,4-dioxaspiro[4.5]decan-3-ylmethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

4
Patents

171.12593 Da
Monoisotopic Mass

0.6
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

literature stripe

Patent stripe

patents stripe