CID 121207152

2,2-dimethoxy-6-azaspiro[3.4]octane

Structural Information

Molecular Formula
C9H17NO2
SMILES
COC1(CC2(C1)CCNC2)OC
InChI
InChI=1S/C9H17NO2/c1-11-9(12-2)5-8(6-9)3-4-10-7-8/h10H,3-7H2,1-2H3
InChIKey
DOIQAESWQCGFLE-UHFFFAOYSA-N
Compound name
2,2-dimethoxy-6-azaspiro[3.4]octane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
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 136.2
[M+Na]+ 194.11515 141.7
[M-H]- 170.11865 139.2
[M+NH4]+ 189.15975 153.9
[M+K]+ 210.08909 143.1
[M+H-H2O]+ 154.12319 127.5
[M+HCOO]- 216.12413 154.5
[M+CH3COO]- 230.13978 177.6
[M+Na-2H]- 192.10060 142.0
[M]+ 171.12538 142.7
[M]- 171.12648 142.7
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

No patent data available for this compound.