CID 79229

2-cyanoethyl hexyl ether

Structural Information

Molecular Formula
C9H17NO
SMILES
CCCCCCOCCC#N
InChI
InChI=1S/C9H17NO/c1-2-3-4-5-8-11-9-6-7-10/h2-6,8-9H2,1H3
InChIKey
CVGVUZQHVVQSRO-UHFFFAOYSA-N
Compound name
3-hexoxypropanenitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

12
Patents

155.13101 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 156.13829 135.0
[M+Na]+ 178.12023 144.9
[M+NH4]+ 173.16483 139.5
[M+K]+ 194.09417 135.4
[M-H]- 154.12373 127.9
[M+Na-2H]- 176.10568 136.7
[M]+ 155.13046 133.4
[M]- 155.13156 133.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe