CID 87219514

Methyl 5-amino-4-(trifluoromethyl)pentanoate hydrochloride

Structural Information

Molecular Formula
C7H12F3NO2
SMILES
COC(=O)CCC(CN)C(F)(F)F
InChI
InChI=1S/C7H12F3NO2/c1-13-6(12)3-2-5(4-11)7(8,9)10/h5H,2-4,11H2,1H3
InChIKey
KKRBFHDEOGWXNV-UHFFFAOYSA-N
Compound name
methyl 4-(aminomethyl)-5,5,5-trifluoropentanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

17
Patents

199.08202 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 200.08930 145.5
[M+Na]+ 222.07124 150.3
[M+NH4]+ 217.11584 149.3
[M+K]+ 238.04518 147.6
[M-H]- 198.07474 139.3
[M+Na-2H]- 220.05669 145.2
[M]+ 199.08147 143.7
[M]- 199.08257 143.7
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

patents stripe