CID 138395008

N,n-dimethyl-3-[(perfluoropentane-1-sulfonyl)amino]propan-1-amine n-oxide

Structural Information

Molecular Formula
C10H13F11N2O3S
SMILES
C[N+](C)(CCCNS(=O)(=O)C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)[O-]
InChI
InChI=1S/C10H13F11N2O3S/c1-23(2,24)5-3-4-22-27(25,26)10(20,21)8(15,16)6(11,12)7(13,14)9(17,18)19/h22H,3-5H2,1-2H3
InChIKey
MHGNTUMFVTYUDG-UHFFFAOYSA-N
Compound name
N,N-dimethyl-3-(1,1,2,2,3,3,4,4,5,5,5-undecafluoropentylsulfonylamino)propan-1-amine oxide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

450.04712 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 451.05440 186.6
[M+Na]+ 473.03634 191.2
[M-H]- 449.03984 192.1
[M+NH4]+ 468.08094 193.4
[M+K]+ 489.01028 197.1
[M+H-H2O]+ 433.04438 167.7
[M+HCOO]- 495.04532 207.2
[M+CH3COO]- 509.06097 222.4
[M+Na-2H]- 471.02179 181.0
[M]+ 450.04657 183.8
[M]- 450.04767 183.8
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.