CID 110472

Propanenitrile, 3-(tetradecyloxy)-

Structural Information

Molecular Formula
C17H33NO
SMILES
CCCCCCCCCCCCCCOCCC#N
InChI
InChI=1S/C17H33NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-16-19-17-14-15-18/h2-14,16-17H2,1H3
InChIKey
NSEZEILPAFNORQ-UHFFFAOYSA-N
Compound name
3-tetradecoxypropanenitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

267.25623 Da
Monoisotopic Mass

6.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 268.26351 167.0
[M+Na]+ 290.24545 175.4
[M+NH4]+ 285.29005 170.3
[M+K]+ 306.21939 164.2
[M-H]- 266.24895 159.5
[M+Na-2H]- 288.23090 166.7
[M]+ 267.25568 165.1
[M]- 267.25678 165.1
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.