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 162.5
[M+Na]+ 290.24545 167.6
[M-H]- 266.24895 161.7
[M+NH4]+ 285.29005 177.8
[M+K]+ 306.21939 164.8
[M+H-H2O]+ 250.25349 149.8
[M+HCOO]- 312.25443 180.1
[M+CH3COO]- 326.27008 213.6
[M+Na-2H]- 288.23090 164.7
[M]+ 267.25568 164.1
[M]- 267.25678 164.1
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.