CID 14771262

1-(2,2-dimethoxyethoxy)-4-(2-ethoxyethyl)-2,3-dimethylbenzene

Structural Information

Molecular Formula
C16H26O4
SMILES
CCOCCC1=C(C(=C(C=C1)OCC(OC)OC)C)C
InChI
InChI=1S/C16H26O4/c1-6-19-10-9-14-7-8-15(13(3)12(14)2)20-11-16(17-4)18-5/h7-8,16H,6,9-11H2,1-5H3
InChIKey
HDWAYDFOIVLRFS-UHFFFAOYSA-N
Compound name
1-(2,2-dimethoxyethoxy)-4-(2-ethoxyethyl)-2,3-dimethylbenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

282.1831 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 283.190376 167.4
[M+Na]+ 305.172318 174.1
[M-H]- 281.175824 170.8
[M+NH4]+ 300.216923 184.0
[M+K]+ 321.146258 173.3
[M+H-H2O]+ 265.180360 160.4
[M+HCOO]- 327.181301 189.5
[M+CH3COO]- 341.196951 204.8
[M+Na-2H]- 303.157766 168.6
[M]+ 282.18255142 176.2
[M]- 282.18364858 176.2
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

patents stripe