CID 153616877

Schembl22125515

Structural Information

Molecular Formula
C20H32O
SMILES
CCCCCCCCCC(=COCCC1=CC=CC=C1)C
InChI
InChI=1S/C20H32O/c1-3-4-5-6-7-8-10-13-19(2)18-21-17-16-20-14-11-9-12-15-20/h9,11-12,14-15,18H,3-8,10,13,16-17H2,1-2H3
InChIKey
UOOCYECTFSTECY-UHFFFAOYSA-N
Compound name
2-(2-methylundec-1-enoxy)ethylbenzene
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

213
Patents

288.24533 Da
Monoisotopic Mass

7.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 289.25261 177.5
[M+Na]+ 311.23455 180.2
[M-H]- 287.23805 179.0
[M+NH4]+ 306.27915 193.0
[M+K]+ 327.20849 175.9
[M+H-H2O]+ 271.24259 169.7
[M+HCOO]- 333.24353 197.7
[M+CH3COO]- 347.25918 205.8
[M+Na-2H]- 309.22000 178.3
[M]+ 288.24478 181.4
[M]- 288.24588 181.4
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.