CID 77155

3-hexadecoxypropanenitrile

Structural Information

Molecular Formula
C19H37NO
SMILES
CCCCCCCCCCCCCCCCOCCC#N
InChI
InChI=1S/C19H37NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-18-21-19-16-17-20/h2-16,18-19H2,1H3
InChIKey
UAHOEGZWOAYFTI-UHFFFAOYSA-N
Compound name
3-hexadecoxypropanenitrile
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

295.2875 Da
Monoisotopic Mass

7.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 296.29478 174.9
[M+Na]+ 318.27672 183.0
[M+NH4]+ 313.32132 177.9
[M+K]+ 334.25066 171.3
[M-H]- 294.28022 167.3
[M+Na-2H]- 316.26217 174.2
[M]+ 295.28695 172.9
[M]- 295.28805 172.9
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

No patent data available for this compound.