CID 137942696

1,9-dioxaspiro[5.5]undecan-5-amine

Structural Information

Molecular Formula
C9H17NO2
SMILES
C1CC(C2(CCOCC2)OC1)N
InChI
InChI=1S/C9H17NO2/c10-8-2-1-5-12-9(8)3-6-11-7-4-9/h8H,1-7,10H2
InChIKey
NXLRGDXXDFJRDG-UHFFFAOYSA-N
Compound name
1,9-dioxaspiro[5.5]undecan-5-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 139.2
[M+Na]+ 194.11515 149.0
[M+NH4]+ 189.15975 149.8
[M+K]+ 210.08909 142.0
[M-H]- 170.11865 145.5
[M+Na-2H]- 192.10060 144.9
[M]+ 171.12538 142.4
[M]- 171.12648 142.4
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

No patent data available for this compound.