CID 14597711

Ethanaminium, n,n,n-trimethyl-2-[[(4-sulfophenoxy)carbonyl]oxy]-, inner salt

Structural Information

Molecular Formula
C12H18NO6S
SMILES
C[N+](C)(C)CCOC(=O)OC1=CC=C(C=C1)S(=O)(=O)O
InChI
InChI=1S/C12H17NO6S/c1-13(2,3)8-9-18-12(14)19-10-4-6-11(7-5-10)20(15,16)17/h4-7H,8-9H2,1-3H3/p+1
InChIKey
GIZXJGVFJGGEPG-UHFFFAOYSA-O
Compound name
trimethyl-[2-(4-sulfophenoxy)carbonyloxyethyl]azanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

242
Patents

304.08548 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 305.09276 163.0
[M+Na]+ 327.07470 173.1
[M+NH4]+ 322.11930 168.9
[M+K]+ 343.04864 169.6
[M-H]- 303.07820 163.2
[M+Na-2H]- 325.06015 167.5
[M]+ 304.08493 165.1
[M]- 304.08603 165.1
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