CID 43090333

Methyl(3,3,3-trifluoropropyl)amine hydrochloride

Structural Information

Molecular Formula
C4H8F3N
SMILES
CNCCC(F)(F)F
InChI
InChI=1S/C4H8F3N/c1-8-3-2-4(5,6)7/h8H,2-3H2,1H3
InChIKey
ONBBNBDNLGQXIX-UHFFFAOYSA-N
Compound name
3,3,3-trifluoro-N-methylpropan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

232
Patents

127.06088 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 128.06816 121.0
[M+Na]+ 150.05010 128.7
[M-H]- 126.05360 117.7
[M+NH4]+ 145.09470 143.0
[M+K]+ 166.02404 128.2
[M+H-H2O]+ 110.05814 114.4
[M+HCOO]- 172.05908 141.7
[M+CH3COO]- 186.07473 173.9
[M+Na-2H]- 148.03555 128.2
[M]+ 127.06033 116.3
[M]- 127.06143 116.3
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