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

246
Patents

127.06088 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 128.068156 121.0
[M+Na]+ 150.050098 128.7
[M-H]- 126.053604 117.7
[M+NH4]+ 145.094703 143.0
[M+K]+ 166.024038 128.2
[M+H-H2O]+ 110.058140 114.4
[M+HCOO]- 172.059081 141.7
[M+CH3COO]- 186.074731 173.9
[M+Na-2H]- 148.035546 128.2
[M]+ 127.06033142 116.3
[M]- 127.06142858 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