CID 112626

Butanenitrile, 2-(3-pentadecylphenoxy)-

Structural Information

Molecular Formula
C25H41NO
SMILES
CCCCCCCCCCCCCCCC1=CC(=CC=C1)OC(CC)C#N
InChI
InChI=1S/C25H41NO/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-18-23-19-17-20-25(21-23)27-24(4-2)22-26/h17,19-21,24H,3-16,18H2,1-2H3
InChIKey
OASCYEPFYOGAJA-UHFFFAOYSA-N
Compound name
2-(3-pentadecylphenoxy)butanenitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

371.31882 Da
Monoisotopic Mass

10.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 372.32610 193.9
[M+Na]+ 394.30804 197.9
[M-H]- 370.31154 194.7
[M+NH4]+ 389.35264 205.1
[M+K]+ 410.28198 192.0
[M+H-H2O]+ 354.31608 179.1
[M+HCOO]- 416.31702 209.4
[M+CH3COO]- 430.33267 232.1
[M+Na-2H]- 392.29349 192.2
[M]+ 371.31827 195.1
[M]- 371.31937 195.1
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.