CID 139597035

N-(2-hydroxyethyl)-n,n-dimethyl-3-[[(perfluoroethyl)sulfonyl]amino]-1-propanaminium

Structural Information

Molecular Formula
C9H18F5N2O3S
SMILES
C[N+](C)(CCCNS(=O)(=O)C(C(F)(F)F)(F)F)CCO
InChI
InChI=1S/C9H18F5N2O3S/c1-16(2,6-7-17)5-3-4-15-20(18,19)9(13,14)8(10,11)12/h15,17H,3-7H2,1-2H3/q+1
InChIKey
SCBRLSKRVSUCKH-UHFFFAOYSA-N
Compound name
2-hydroxyethyl-dimethyl-[3-(1,1,2,2,2-pentafluoroethylsulfonylamino)propyl]azanium
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

329.09583 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 330.10311 157.7
[M+Na]+ 352.08505 163.2
[M-H]- 328.08855 151.3
[M+NH4]+ 347.12965 171.0
[M+K]+ 368.05899 155.3
[M+H-H2O]+ 312.09309 151.1
[M+HCOO]- 374.09403 166.3
[M+CH3COO]- 388.10968 201.7
[M+Na-2H]- 350.07050 165.6
[M]+ 329.09528 152.3
[M]- 329.09638 152.3
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.