CID 82717591

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

Structural Information

Molecular Formula
C8H15NO2
SMILES
CC1C2(CCO1)CNCCO2
InChI
InChI=1S/C8H15NO2/c1-7-8(2-4-10-7)6-9-3-5-11-8/h7,9H,2-6H2,1H3
InChIKey
QFQKSHBHJGQPPT-UHFFFAOYSA-N
Compound name
1-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]+ 158.117556 133.5
[M+Na]+ 180.099498 138.7
[M-H]- 156.103004 136.8
[M+NH4]+ 175.144103 153.4
[M+K]+ 196.073438 139.4
[M+H-H2O]+ 140.107540 127.9
[M+HCOO]- 202.108481 149.1
[M+CH3COO]- 216.124131 145.8
[M+Na-2H]- 178.084946 139.9
[M]+ 157.10973142 127.8
[M]- 157.11082858 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.