CID 43695

6-((2-hydroxyethyl)amino)-1-hexanol dibutanesulfonate hydrochloride

Structural Information

Molecular Formula
C16H35NO6S2
SMILES
CCCCS(=O)(=O)OCCCCCCNCCOS(=O)(=O)CCCC
InChI
InChI=1S/C16H35NO6S2/c1-3-5-15-24(18,19)22-13-10-8-7-9-11-17-12-14-23-25(20,21)16-6-4-2/h17H,3-16H2,1-2H3
InChIKey
MEVHYJSSRHTGCH-UHFFFAOYSA-N
Compound name
6-(2-butylsulfonyloxyethylamino)hexyl butane-1-sulfonate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

401.19058 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 402.19786 194.9
[M+Na]+ 424.17980 196.8
[M-H]- 400.18330 192.5
[M+NH4]+ 419.22440 205.6
[M+K]+ 440.15374 192.2
[M+H-H2O]+ 384.18784 187.2
[M+HCOO]- 446.18878 204.2
[M+CH3COO]- 460.20443 219.3
[M+Na-2H]- 422.16525 195.3
[M]+ 401.19003 205.8
[M]- 401.19113 205.8
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

No patent data available for this compound.