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]+ 136.07570 113.0
[M+Na]+ 158.05764 120.3
[M-H]- 134.06114 118.8
[M+NH4]+ 153.10224 122.9
[M+K]+ 174.03158 125.3
[M+H-H2O]+ 118.06568 96.3
[M+HCOO]- 180.06662 129.6
[M+CH3COO]- 194.08227 197.3
[M+Na-2H]- 156.04309 120.1
[M]+ 135.06787 122.4
[M]- 135.06897 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.