CID 139596170

N,n,n-trimethyl-3-[methyl(perfluoropropanesulfonyl)amino]propan-1-aminium

Structural Information

Molecular Formula
C10H18F7N2O2S
SMILES
CN(CCC[N+](C)(C)C)S(=O)(=O)C(C(C(F)(F)F)(F)F)(F)F
InChI
InChI=1S/C10H18F7N2O2S/c1-18(6-5-7-19(2,3)4)22(20,21)10(16,17)8(11,12)9(13,14)15/h5-7H2,1-4H3/q+1
InChIKey
MYOALHJBESBBPK-UHFFFAOYSA-N
Compound name
3-[1,1,2,2,3,3,3-heptafluoropropylsulfonyl(methyl)amino]propyl-trimethylazanium
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

363.09772 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 364.10500 161.8
[M+Na]+ 386.08694 168.2
[M-H]- 362.09044 156.2
[M+NH4]+ 381.13154 191.7
[M+K]+ 402.06088 161.8
[M+H-H2O]+ 346.09498 153.6
[M+HCOO]- 408.09592 205.5
[M+CH3COO]- 422.11157 214.8
[M+Na-2H]- 384.07239 169.2
[M]+ 363.09717 155.1
[M]- 363.09827 155.1
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

No patent data available for this compound.