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

7
Patents

139.09972 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 140.10700 127.4
[M+Na]+ 162.08894 134.8
[M-H]- 138.09244 130.2
[M+NH4]+ 157.13354 146.8
[M+K]+ 178.06288 132.8
[M+H-H2O]+ 122.09698 115.7
[M+HCOO]- 184.09792 145.2
[M+CH3COO]- 198.11357 185.8
[M+Na-2H]- 160.07439 133.4
[M]+ 139.09917 119.7
[M]- 139.10027 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