CID 138039691

2241128-92-5

Structural Information

Molecular Formula
C7H9NO
SMILES
CC12CC(C1)(CO2)C#N
InChI
InChI=1S/C7H9NO/c1-6-2-7(3-6,4-8)5-9-6/h2-3,5H2,1H3
InChIKey
ZYWGOFYUDIQHLR-UHFFFAOYSA-N
Compound name
1-methyl-2-oxabicyclo[2.1.1]hexane-4-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

123.06841 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 124.075686 125.1
[M+Na]+ 146.057628 136.4
[M-H]- 122.061134 128.2
[M+NH4]+ 141.102233 148.5
[M+K]+ 162.031568 134.3
[M+H-H2O]+ 106.065670 113.9
[M+HCOO]- 168.066611 141.1
[M+CH3COO]- 182.082261 138.6
[M+Na-2H]- 144.043076 135.8
[M]+ 123.06786142 133.2
[M]- 123.06895858 133.2
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.