CID 4125390

2-ethoxyethyl 4-methylbenzene-1-sulfonate

Structural Information

Molecular Formula
C11H16O4S
SMILES
CCOCCOS(=O)(=O)C1=CC=C(C=C1)C
InChI
InChI=1S/C11H16O4S/c1-3-14-8-9-15-16(12,13)11-6-4-10(2)5-7-11/h4-7H,3,8-9H2,1-2H3
InChIKey
HXXNTEDKEYTYPD-UHFFFAOYSA-N
Compound name
2-ethoxyethyl 4-methylbenzenesulfonate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

181
Patents

244.07693 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 245.08421 152.1
[M+Na]+ 267.06615 160.1
[M-H]- 243.06965 155.9
[M+NH4]+ 262.11075 170.2
[M+K]+ 283.04009 158.0
[M+H-H2O]+ 227.07419 146.0
[M+HCOO]- 289.07513 170.4
[M+CH3COO]- 303.09078 189.1
[M+Na-2H]- 265.05160 156.2
[M]+ 244.07638 159.1
[M]- 244.07748 159.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe