CID 19936550

3-amino-1,1,1-trifluoro-3-methylbutan-2-ol hydrochloride

Structural Information

Molecular Formula
C5H10F3NO
SMILES
CC(C)(C(C(F)(F)F)O)N
InChI
InChI=1S/C5H10F3NO/c1-4(2,9)3(10)5(6,7)8/h3,10H,9H2,1-2H3
InChIKey
NJBGWLOACYNJPC-UHFFFAOYSA-N
Compound name
3-amino-1,1,1-trifluoro-3-methylbutan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

15
Patents

157.07144 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 158.078716 129.2
[M+Na]+ 180.060658 136.3
[M-H]- 156.064164 124.1
[M+NH4]+ 175.105263 148.9
[M+K]+ 196.034598 135.5
[M+H-H2O]+ 140.068700 123.1
[M+HCOO]- 202.069641 145.1
[M+CH3COO]- 216.085291 176.8
[M+Na-2H]- 178.046106 133.7
[M]+ 157.07089142 122.1
[M]- 157.07198858 122.1
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