CID 4694748

2-(dodecyloxy)benzonitrile

Structural Information

Molecular Formula
C19H29NO
SMILES
CCCCCCCCCCCCOC1=CC=CC=C1C#N
InChI
InChI=1S/C19H29NO/c1-2-3-4-5-6-7-8-9-10-13-16-21-19-15-12-11-14-18(19)17-20/h11-12,14-15H,2-10,13,16H2,1H3
InChIKey
DDUJCCRSCBUHMI-UHFFFAOYSA-N
Compound name
2-dodecoxybenzonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

287.2249 Da
Monoisotopic Mass

7.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 288.23218 169.0
[M+Na]+ 310.21412 175.6
[M-H]- 286.21762 170.8
[M+NH4]+ 305.25872 183.4
[M+K]+ 326.18806 170.6
[M+H-H2O]+ 270.22216 155.3
[M+HCOO]- 332.22310 187.2
[M+CH3COO]- 346.23875 215.5
[M+Na-2H]- 308.19957 171.3
[M]+ 287.22435 168.8
[M]- 287.22545 168.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe