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

21
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 127.4
[M+Na]+ 164.10459 135.8
[M-H]- 140.10809 128.0
[M+NH4]+ 159.14919 147.2
[M+K]+ 180.07853 135.2
[M+H-H2O]+ 124.11263 116.2
[M+HCOO]- 186.11357 147.6
[M+CH3COO]- 200.12922 189.3
[M+Na-2H]- 162.09004 133.8
[M]+ 141.11482 125.8
[M]- 141.11592 125.8
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