CID 75524946

2-amino-5-methoxy-2-(trifluoromethyl)pentanoic acid

Structural Information

Molecular Formula
C7H12F3NO3
SMILES
COCCCC(C(=O)O)(C(F)(F)F)N
InChI
InChI=1S/C7H12F3NO3/c1-14-4-2-3-6(11,5(12)13)7(8,9)10/h2-4,11H2,1H3,(H,12,13)
InChIKey
QBZLPKGOELPOHB-UHFFFAOYSA-N
Compound name
2-amino-5-methoxy-2-(trifluoromethyl)pentanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

215.07693 Da
Monoisotopic Mass

-1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 216.08421 142.6
[M+Na]+ 238.06615 149.1
[M-H]- 214.06965 137.1
[M+NH4]+ 233.11075 159.8
[M+K]+ 254.04009 148.1
[M+H-H2O]+ 198.07419 135.8
[M+HCOO]- 260.07513 158.6
[M+CH3COO]- 274.09078 186.0
[M+Na-2H]- 236.05160 146.5
[M]+ 215.07638 138.5
[M]- 215.07748 138.5
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.