CID 3022840

Einecs 299-718-7

Structural Information

Molecular Formula
C19H32O2
SMILES
CCCCCCCCCC(OC)OCCC1=CC=CC=C1
InChI
InChI=1S/C19H32O2/c1-3-4-5-6-7-8-12-15-19(20-2)21-17-16-18-13-10-9-11-14-18/h9-11,13-14,19H,3-8,12,15-17H2,1-2H3
InChIKey
XLUFTQHSDFJRJC-UHFFFAOYSA-N
Compound name
2-(1-methoxydecoxy)ethylbenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

292.24023 Da
Monoisotopic Mass

6.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 293.247506 177.5
[M+Na]+ 315.229448 180.2
[M-H]- 291.232954 179.1
[M+NH4]+ 310.274053 192.8
[M+K]+ 331.203388 177.3
[M+H-H2O]+ 275.237490 169.6
[M+HCOO]- 337.238431 198.1
[M+CH3COO]- 351.254081 206.2
[M+Na-2H]- 313.214896 178.8
[M]+ 292.23968142 183.2
[M]- 292.24077858 183.2
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.