CID 19813790

Spiro[2.4]heptane-4-carbonitrile

Structural Information

Molecular Formula
C8H11N
SMILES
C1CC(C2(C1)CC2)C#N
InChI
InChI=1S/C8H11N/c9-6-7-2-1-3-8(7)4-5-8/h7H,1-5H2
InChIKey
OAKKFAJYENVOMB-UHFFFAOYSA-N
Compound name
spiro[2.4]heptane-7-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

121.08915 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 122.096426 123.3
[M+Na]+ 144.078368 139.2
[M-H]- 120.081874 131.4
[M+NH4]+ 139.122973 144.5
[M+K]+ 160.052308 132.6
[M+H-H2O]+ 104.086410 115.0
[M+HCOO]- 166.087351 144.3
[M+CH3COO]- 180.103001 138.2
[M+Na-2H]- 142.063816 131.5
[M]+ 121.08860142 120.3
[M]- 121.08969858 120.3
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.