CID 53440518

1,4-dioxaspiro[4.4]nonane-7-carbonitrile

Structural Information

Molecular Formula
C8H11NO2
SMILES
C1CC2(CC1C#N)OCCO2
InChI
InChI=1S/C8H11NO2/c9-6-7-1-2-8(5-7)10-3-4-11-8/h7H,1-5H2
InChIKey
AIGSEZMXORSNKO-UHFFFAOYSA-N
Compound name
1,4-dioxaspiro[4.4]nonane-8-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

153.07898 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 154.086256 127.5
[M+Na]+ 176.068198 137.5
[M-H]- 152.071704 133.0
[M+NH4]+ 171.112803 149.1
[M+K]+ 192.042138 135.3
[M+H-H2O]+ 136.076240 116.6
[M+HCOO]- 198.077181 145.0
[M+CH3COO]- 212.092831 140.6
[M+Na-2H]- 174.053646 133.7
[M]+ 153.07843142 120.9
[M]- 153.07952858 120.9
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

patents stripe