CID 52903796

7,7-dimethyl-6,8-dioxa-2-azaspiro[3.5]nonane

Structural Information

Molecular Formula
C8H15NO2
SMILES
CC1(OCC2(CNC2)CO1)C
InChI
InChI=1S/C8H15NO2/c1-7(2)10-5-8(6-11-7)3-9-4-8/h9H,3-6H2,1-2H3
InChIKey
XPJFNPHFUUEMJY-UHFFFAOYSA-N
Compound name
7,7-dimethyl-6,8-dioxa-2-azaspiro[3.5]nonane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

8
Patents

157.11028 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 158.11756 128.2
[M+Na]+ 180.09950 133.5
[M-H]- 156.10300 132.3
[M+NH4]+ 175.14410 142.3
[M+K]+ 196.07344 137.7
[M+H-H2O]+ 140.10754 119.1
[M+HCOO]- 202.10848 143.0
[M+CH3COO]- 216.12413 175.1
[M+Na-2H]- 178.08495 137.8
[M]+ 157.10973 133.6
[M]- 157.11083 133.6
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