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]+ 130.04743 119.3
[M+Na]+ 152.02937 127.4
[M-H]- 128.03287 116.1
[M+NH4]+ 147.07397 141.1
[M+K]+ 168.00331 127.6
[M+H-H2O]+ 112.03741 112.6
[M+HCOO]- 174.03835 140.6
[M+CH3COO]- 188.05400 172.8
[M+Na-2H]- 150.01482 127.0
[M]+ 129.03960 115.7
[M]- 129.04070 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