CID 112772

61894-66-4

Structural Information

Molecular Formula
C12H26O5S
SMILES
CCCCCCCCCCOCCOS(=O)(=O)O
InChI
InChI=1S/C12H26O5S/c1-2-3-4-5-6-7-8-9-10-16-11-12-17-18(13,14)15/h2-12H2,1H3,(H,13,14,15)
InChIKey
BHVSIIXCNXDUOJ-UHFFFAOYSA-N
Compound name
2-decoxyethyl hydrogen sulfate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

29
Patents

282.1501 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 283.15738 166.4
[M+Na]+ 305.13932 171.0
[M-H]- 281.14282 164.2
[M+NH4]+ 300.18392 182.0
[M+K]+ 321.11326 168.6
[M+H-H2O]+ 265.14736 160.4
[M+HCOO]- 327.14830 181.3
[M+CH3COO]- 341.16395 195.0
[M+Na-2H]- 303.12477 167.7
[M]+ 282.14955 175.4
[M]- 282.15065 175.4
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