CID 57680060

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

Structural Information

Molecular Formula
C3H6F3NO
SMILES
CNOCC(F)(F)F
InChI
InChI=1S/C3H6F3NO/c1-7-8-2-3(4,5)6/h7H,2H2,1H3
InChIKey
HLSATNKZTVFHCQ-UHFFFAOYSA-N
Compound name
N-(2,2,2-trifluoroethoxy)methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

16
Patents

129.04015 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 130.047426 119.3
[M+Na]+ 152.029368 127.4
[M-H]- 128.032874 116.1
[M+NH4]+ 147.073973 141.1
[M+K]+ 168.003308 127.6
[M+H-H2O]+ 112.037410 112.6
[M+HCOO]- 174.038351 140.6
[M+CH3COO]- 188.054001 172.8
[M+Na-2H]- 150.014816 127.0
[M]+ 129.03960142 115.7
[M]- 129.04069858 115.7
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