CID 3063728

1,4-dioxa-6-methyl-8-aza-8-(1-cyanocyclohexyl)spiro(4,5)decane hydrobromide

Structural Information

Molecular Formula
C15H24N2O2
SMILES
CC1CN(CCC12OCCO2)C3(CCCCC3)C#N
InChI
InChI=1S/C15H24N2O2/c1-13-11-17(8-7-15(13)18-9-10-19-15)14(12-16)5-3-2-4-6-14/h13H,2-11H2,1H3
InChIKey
OFAAIRABCKNWQB-UHFFFAOYSA-N
Compound name
1-(6-methyl-1,4-dioxa-8-azaspiro[4.5]decan-8-yl)cyclohexane-1-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

264.18378 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 265.19106 156.0
[M+Na]+ 287.17300 163.1
[M-H]- 263.17650 161.4
[M+NH4]+ 282.21760 172.1
[M+K]+ 303.14694 158.3
[M+H-H2O]+ 247.18104 142.1
[M+HCOO]- 309.18198 165.7
[M+CH3COO]- 323.19763 165.2
[M+Na-2H]- 285.15845 159.1
[M]+ 264.18323 144.5
[M]- 264.18433 144.5
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.