CID 137943260

Methyl 6-amino-2-(2,2,2-trifluoroethyl)hexanoate hydrochloride

Structural Information

Molecular Formula
C9H16F3NO2
SMILES
COC(=O)C(CCCCN)CC(F)(F)F
InChI
InChI=1S/C9H16F3NO2/c1-15-8(14)7(4-2-3-5-13)6-9(10,11)12/h7H,2-6,13H2,1H3
InChIKey
XEESGYKURNYYFV-UHFFFAOYSA-N
Compound name
methyl 6-amino-2-(2,2,2-trifluoroethyl)hexanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

227.11331 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 228.12059 149.9
[M+Na]+ 250.10253 155.5
[M-H]- 226.10603 145.3
[M+NH4]+ 245.14713 167.5
[M+K]+ 266.07647 154.5
[M+H-H2O]+ 210.11057 142.1
[M+HCOO]- 272.11151 167.1
[M+CH3COO]- 286.12716 192.3
[M+Na-2H]- 248.08798 150.9
[M]+ 227.11276 146.9
[M]- 227.11386 146.9
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.