CID 20721301

3-(dimethylamino)-1,1,1-trifluoropropan-2-ol

Structural Information

Molecular Formula
C5H10F3NO
SMILES
CN(C)CC(C(F)(F)F)O
InChI
InChI=1S/C5H10F3NO/c1-9(2)3-4(10)5(6,7)8/h4,10H,3H2,1-2H3
InChIKey
GXHSCUOHGRZZNX-UHFFFAOYSA-N
Compound name
3-(dimethylamino)-1,1,1-trifluoropropan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

12
Patents

157.07144 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 158.07872 129.1
[M+Na]+ 180.06066 136.0
[M-H]- 156.06416 125.7
[M+NH4]+ 175.10526 149.7
[M+K]+ 196.03460 136.5
[M+H-H2O]+ 140.06870 122.2
[M+HCOO]- 202.06964 147.7
[M+CH3COO]- 216.08529 180.6
[M+Na-2H]- 178.04611 133.2
[M]+ 157.07089 124.9
[M]- 157.07199 124.9
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