CID 167729710

3-methyl-7-oxa-1-azaspiro[3.5]nonane

Structural Information

Molecular Formula
C8H15NO
SMILES
CC1CNC12CCOCC2
InChI
InChI=1S/C8H15NO/c1-7-6-9-8(7)2-4-10-5-3-8/h7,9H,2-6H2,1H3
InChIKey
MLHFKEGAWWZNBV-UHFFFAOYSA-N
Compound name
3-methyl-7-oxa-1-azaspiro[3.5]nonane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

141.11537 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 142.12265 125.9
[M+Na]+ 164.10459 130.5
[M-H]- 140.10809 128.9
[M+NH4]+ 159.14919 140.0
[M+K]+ 180.07853 133.0
[M+H-H2O]+ 124.11263 115.8
[M+HCOO]- 186.11357 141.5
[M+CH3COO]- 200.12922 173.1
[M+Na-2H]- 162.09004 133.6
[M]+ 141.11482 128.9
[M]- 141.11592 128.9
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.