CID 131553753

6-azaspiro[3.4]octane-2-carbonitrile

Structural Information

Molecular Formula
C8H12N2
SMILES
C1CNCC12CC(C2)C#N
InChI
InChI=1S/C8H12N2/c9-5-7-3-8(4-7)1-2-10-6-8/h7,10H,1-4,6H2
InChIKey
UQOFDPRGKPXJKE-UHFFFAOYSA-N
Compound name
6-azaspiro[3.4]octane-2-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

136.10005 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 137.107326 123.3
[M+Na]+ 159.089268 130.9
[M-H]- 135.092774 125.8
[M+NH4]+ 154.133873 138.8
[M+K]+ 175.063208 130.5
[M+H-H2O]+ 119.097310 107.6
[M+HCOO]- 181.098251 138.7
[M+CH3COO]- 195.113901 185.2
[M+Na-2H]- 157.074716 128.8
[M]+ 136.09950142 121.3
[M]- 136.10059858 121.3
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.