CID 65122770

7-methyl-2,6-dioxa-9-azaspiro[4.5]decane

Structural Information

Molecular Formula
C8H15NO2
SMILES
CC1CNCC2(O1)CCOC2
InChI
InChI=1S/C8H15NO2/c1-7-4-9-5-8(11-7)2-3-10-6-8/h7,9H,2-6H2,1H3
InChIKey
PTBMPLQSWYVVMM-UHFFFAOYSA-N
Compound name
7-methyl-2,6-dioxa-9-azaspiro[4.5]decane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

157.11028 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 158.11756 133.5
[M+Na]+ 180.09950 138.7
[M-H]- 156.10300 136.8
[M+NH4]+ 175.14410 153.4
[M+K]+ 196.07344 139.4
[M+H-H2O]+ 140.10754 127.9
[M+HCOO]- 202.10848 149.1
[M+CH3COO]- 216.12413 145.8
[M+Na-2H]- 178.08495 139.9
[M]+ 157.10973 127.8
[M]- 157.11083 127.8
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.