CID 520301

Methyl(2,2,2-trifluoroethyl)amine hydrochloride

Structural Information

Molecular Formula
C3H6F3N
SMILES
CNCC(F)(F)F
InChI
InChI=1S/C3H6F3N/c1-7-2-3(4,5)6/h7H,2H2,1H3
InChIKey
XZYJNHZNHGUSNY-UHFFFAOYSA-N
Compound name
2,2,2-trifluoro-N-methylethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

1375
Patents

113.045235 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 114.052511 116.3
[M+Na]+ 136.034453 124.4
[M-H]- 112.037959 113.1
[M+NH4]+ 131.079058 138.8
[M+K]+ 152.008393 124.2
[M+H-H2O]+ 96.042495 109.9
[M+HCOO]- 158.043436 137.3
[M+CH3COO]- 172.059086 170.9
[M+Na-2H]- 134.019901 124.0
[M]+ 113.04468642 111.2
[M]- 113.04578358 111.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe