CID 3024289

Einecs 304-912-2

Structural Information

Molecular Formula
C20H34O2
SMILES
CCCCCCCCCCC(OC)OCCC1=CC=CC=C1
InChI
InChI=1S/C20H34O2/c1-3-4-5-6-7-8-9-13-16-20(21-2)22-18-17-19-14-11-10-12-15-19/h10-12,14-15,20H,3-9,13,16-18H2,1-2H3
InChIKey
VTIBZGRHIAXWGL-UHFFFAOYSA-N
Compound name
2-(1-methoxyundecoxy)ethylbenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

306.2559 Da
Monoisotopic Mass

7.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 307.263176 182.0
[M+Na]+ 329.245118 184.4
[M-H]- 305.248624 183.5
[M+NH4]+ 324.289723 196.8
[M+K]+ 345.219058 181.2
[M+H-H2O]+ 289.253160 173.9
[M+HCOO]- 351.254101 202.3
[M+CH3COO]- 365.269751 209.2
[M+Na-2H]- 327.230566 182.9
[M]+ 306.25535142 188.2
[M]- 306.25644858 188.2
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.