CID 12642367

2-(cyclohexyloxy)acetonitrile

Structural Information

Molecular Formula
C8H13NO
SMILES
C1CCC(CC1)OCC#N
InChI
InChI=1S/C8H13NO/c9-6-7-10-8-4-2-1-3-5-8/h8H,1-5,7H2
InChIKey
ISUQSBDLNDIYIT-UHFFFAOYSA-N
Compound name
2-cyclohexyloxyacetonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

13
Patents

139.09972 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 140.106996 127.4
[M+Na]+ 162.088938 134.8
[M-H]- 138.092444 130.2
[M+NH4]+ 157.133543 146.8
[M+K]+ 178.062878 132.8
[M+H-H2O]+ 122.096980 115.7
[M+HCOO]- 184.097921 145.2
[M+CH3COO]- 198.113571 185.8
[M+Na-2H]- 160.074386 133.4
[M]+ 139.09917142 119.7
[M]- 139.10026858 119.7
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

patents stripe