CID 3018081

Einecs 275-244-6

Structural Information

Molecular Formula
C17H33NO2
SMILES
CCCCCCCCCCCCOCCOCCC#N
InChI
InChI=1S/C17H33NO2/c1-2-3-4-5-6-7-8-9-10-11-14-19-16-17-20-15-12-13-18/h2-12,14-17H2,1H3
InChIKey
DNKLKJXCTRNFBY-UHFFFAOYSA-N
Compound name
3-(2-dodecoxyethoxy)propanenitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

283.25113 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 284.258406 164.5
[M+Na]+ 306.240348 169.5
[M-H]- 282.243854 163.6
[M+NH4]+ 301.284953 179.2
[M+K]+ 322.214288 167.2
[M+H-H2O]+ 266.248390 151.5
[M+HCOO]- 328.249331 182.3
[M+CH3COO]- 342.264981 215.2
[M+Na-2H]- 304.225796 166.8
[M]+ 283.25058142 167.4
[M]- 283.25167858 167.4
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.