CID 62077

54116-08-4

Structural Information

Molecular Formula
C15H32O5S
SMILES
CCCCCCCCCCCCCOCCOS(=O)(=O)O
InChI
InChI=1S/C15H32O5S/c1-2-3-4-5-6-7-8-9-10-11-12-13-19-14-15-20-21(16,17)18/h2-15H2,1H3,(H,16,17,18)
InChIKey
AHAXNKVRLZGFKQ-UHFFFAOYSA-N
Compound name
2-tridecoxyethyl hydrogen sulfate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

30
Patents

324.19705 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 325.20433 179.4
[M+Na]+ 347.18627 182.6
[M-H]- 323.18977 176.6
[M+NH4]+ 342.23087 193.3
[M+K]+ 363.16021 179.5
[M+H-H2O]+ 307.19431 172.8
[M+HCOO]- 369.19525 193.3
[M+CH3COO]- 383.21090 203.9
[M+Na-2H]- 345.17172 179.3
[M]+ 324.19650 189.4
[M]- 324.19760 189.4
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