CID 79006473

4-amino-1,1,1-trifluoro-2-methylbutan-2-ol

Structural Information

Molecular Formula
C5H10F3NO
SMILES
CC(CCN)(C(F)(F)F)O
InChI
InChI=1S/C5H10F3NO/c1-4(10,2-3-9)5(6,7)8/h10H,2-3,9H2,1H3
InChIKey
PDNLXDMMMJEFKE-UHFFFAOYSA-N
Compound name
4-amino-1,1,1-trifluoro-2-methylbutan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

9
Patents

157.07144 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 158.07872 129.4
[M+Na]+ 180.06066 136.8
[M-H]- 156.06416 124.3
[M+NH4]+ 175.10526 149.3
[M+K]+ 196.03460 135.5
[M+H-H2O]+ 140.06870 123.3
[M+HCOO]- 202.06964 146.3
[M+CH3COO]- 216.08529 176.0
[M+Na-2H]- 178.04611 135.2
[M]+ 157.07089 123.0
[M]- 157.07199 123.0
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