CID 3073035

N,n-dimethyl-n-(2-f-butylethyl)ammonioacetate

Structural Information

Molecular Formula
C10H13F9NO2
SMILES
C[N+](C)(CCC(C(C(C(F)(F)F)(F)F)(F)F)(F)F)CC(=O)O
InChI
InChI=1S/C10H12F9NO2/c1-20(2,5-6(21)22)4-3-7(11,12)8(13,14)9(15,16)10(17,18)19/h3-5H2,1-2H3/p+1
InChIKey
VQTNPRGLRDLXML-UHFFFAOYSA-O
Compound name
carboxymethyl-dimethyl-(3,3,4,4,5,5,6,6,6-nonafluorohexyl)azanium
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

350.08026 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 351.08754 160.8
[M+Na]+ 373.06948 168.1
[M-H]- 349.07298 150.6
[M+NH4]+ 368.11408 174.4
[M+K]+ 389.04342 161.0
[M+H-H2O]+ 333.07752 152.8
[M+HCOO]- 395.07846 189.8
[M+CH3COO]- 409.09411 208.2
[M+Na-2H]- 371.05493 168.0
[M]+ 350.07971 147.1
[M]- 350.08081 147.1
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.