CID 11275188

1,1,1-trifluoro-2-methylpropan-2-amine hydrochloride

Structural Information

Molecular Formula
C4H8F3N
SMILES
CC(C)(C(F)(F)F)N
InChI
InChI=1S/C4H8F3N/c1-3(2,8)4(5,6)7/h8H2,1-2H3
InChIKey
YFBWGBFWVFEGEZ-UHFFFAOYSA-N
Compound name
1,1,1-trifluoro-2-methylpropan-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

750
Patents

127.06088 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 128.06816 121.1
[M+Na]+ 150.05010 129.3
[M-H]- 126.05360 117.6
[M+NH4]+ 145.09470 142.9
[M+K]+ 166.02404 128.8
[M+H-H2O]+ 110.05814 115.1
[M+HCOO]- 172.05908 139.6
[M+CH3COO]- 186.07473 173.6
[M+Na-2H]- 148.03555 127.9
[M]+ 127.06033 114.8
[M]- 127.06143 114.8
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