CID 3017654

[1-(1-ethoxyethoxy)ethyl]benzene

Structural Information

Molecular Formula
C12H18O2
SMILES
CCOC(C)OC(C)C1=CC=CC=C1
InChI
InChI=1S/C12H18O2/c1-4-13-11(3)14-10(2)12-8-6-5-7-9-12/h5-11H,4H2,1-3H3
InChIKey
VFIWVXFOXFCGOO-UHFFFAOYSA-N
Compound name
1-(1-ethoxyethoxy)ethylbenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

31
Patents

194.13068 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 195.137956 145.1
[M+Na]+ 217.119898 150.7
[M-H]- 193.123404 148.3
[M+NH4]+ 212.164503 164.5
[M+K]+ 233.093838 150.1
[M+H-H2O]+ 177.127940 138.9
[M+HCOO]- 239.128881 167.2
[M+CH3COO]- 253.144531 186.1
[M+Na-2H]- 215.105346 149.2
[M]+ 194.13013142 147.8
[M]- 194.13122858 147.8
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