CID 106161

67923-90-4

Structural Information

Molecular Formula
C16H34O7S
SMILES
CCCCCCCCCCOCCOCCOCCOS(=O)(=O)O
InChI
InChI=1S/C16H34O7S/c1-2-3-4-5-6-7-8-9-10-20-11-12-21-13-14-22-15-16-23-24(17,18)19/h2-16H2,1H3,(H,17,18,19)
InChIKey
KUPWKEUDAXXONU-UHFFFAOYSA-N
Compound name
2-[2-(2-decoxyethoxy)ethoxy]ethyl hydrogen sulfate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

15
Patents

370.2025 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 371.20978 188.2
[M+Na]+ 393.19172 190.5
[M-H]- 369.19522 185.0
[M+NH4]+ 388.23632 200.0
[M+K]+ 409.16566 188.4
[M+H-H2O]+ 353.19976 180.9
[M+HCOO]- 415.20070 202.3
[M+CH3COO]- 429.21635 210.8
[M+Na-2H]- 391.17717 188.3
[M]+ 370.20195 201.5
[M]- 370.20305 201.5
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