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
1
Annotation Hits

0
References

230
Patents

288.24533 Da
Monoisotopic Mass

7.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 289.252606 177.5
[M+Na]+ 311.234548 180.2
[M-H]- 287.238054 179.0
[M+NH4]+ 306.279153 193.0
[M+K]+ 327.208488 175.9
[M+H-H2O]+ 271.242590 169.7
[M+HCOO]- 333.243531 197.7
[M+CH3COO]- 347.259181 205.8
[M+Na-2H]- 309.219996 178.3
[M]+ 288.24478142 181.4
[M]- 288.24587858 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

patents stripe