CID 5063293

Acetonitrile, (hexyloxy)-

Structural Information

Molecular Formula
C8H15NO
SMILES
CCCCCCOCC#N
InChI
InChI=1S/C8H15NO/c1-2-3-4-5-7-10-8-6-9/h2-5,7-8H2,1H3
InChIKey
VEAMDGDGVPXWDQ-UHFFFAOYSA-N
Compound name
2-hexoxyacetonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

15
Patents

141.11537 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 142.12265 131.0
[M+Na]+ 164.10459 141.1
[M+NH4]+ 159.14919 135.7
[M+K]+ 180.07853 131.8
[M-H]- 140.10809 123.9
[M+Na-2H]- 162.09004 132.9
[M]+ 141.11482 129.5
[M]- 141.11592 129.5
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