CID 16119776

1-amino-4-ethoxy-2-(trifluoromethyl)but-3-en-2-ol

Structural Information

Molecular Formula
C7H12F3NO2
SMILES
CCO/C=C/C(CN)(C(F)(F)F)O
InChI
InChI=1S/C7H12F3NO2/c1-2-13-4-3-6(12,5-11)7(8,9)10/h3-4,12H,2,5,11H2,1H3/b4-3+
InChIKey
UMACIHMNGIOELS-ONEGZZNKSA-N
Compound name
(E)-2-(aminomethyl)-4-ethoxy-1,1,1-trifluorobut-3-en-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

199.08202 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 200.08930 140.3
[M+Na]+ 222.07124 147.2
[M-H]- 198.07474 134.8
[M+NH4]+ 217.11584 158.4
[M+K]+ 238.04518 145.2
[M+H-H2O]+ 182.07928 133.7
[M+HCOO]- 244.08022 157.1
[M+CH3COO]- 258.09587 182.5
[M+Na-2H]- 220.05669 145.2
[M]+ 199.08147 135.4
[M]- 199.08257 135.4
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.