CID 21072523

4,4,4-trifluoro-3-methoxybutan-1-amine

Structural Information

Molecular Formula
C5H10F3NO
SMILES
COC(CCN)C(F)(F)F
InChI
InChI=1S/C5H10F3NO/c1-10-4(2-3-9)5(6,7)8/h4H,2-3,9H2,1H3
InChIKey
PKGOPLPBJFUJKB-UHFFFAOYSA-N
Compound name
4,4,4-trifluoro-3-methoxybutan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

26
Patents

157.07144 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 158.078716 129.4
[M+Na]+ 180.060658 136.6
[M-H]- 156.064164 125.4
[M+NH4]+ 175.105263 149.9
[M+K]+ 196.034598 136.2
[M+H-H2O]+ 140.068700 122.4
[M+HCOO]- 202.069641 148.4
[M+CH3COO]- 216.085291 179.0
[M+Na-2H]- 178.046106 133.7
[M]+ 157.07089142 124.9
[M]- 157.07198858 124.9
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

patents stripe