CID 146049845

2413904-81-9

Structural Information

Molecular Formula
C8H9NO
SMILES
C1CC2(C1=O)CC(C2)C#N
InChI
InChI=1S/C8H9NO/c9-5-6-3-8(4-6)2-1-7(8)10/h6H,1-4H2
InChIKey
QZJCKHYDARRUFH-UHFFFAOYSA-N
Compound name
7-oxospiro[3.3]heptane-2-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

135.06842 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 136.075696 113.0
[M+Na]+ 158.057638 120.3
[M-H]- 134.061144 118.8
[M+NH4]+ 153.102243 122.9
[M+K]+ 174.031578 125.3
[M+H-H2O]+ 118.065680 96.3
[M+HCOO]- 180.066621 129.6
[M+CH3COO]- 194.082271 197.3
[M+Na-2H]- 156.043086 120.1
[M]+ 135.06787142 122.4
[M]- 135.06896858 122.4
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.