CID 16784702

1-amino-3-(2,2,2-trifluoroethoxy)propan-2-ol

Structural Information

Molecular Formula
C5H10F3NO2
SMILES
C(C(COCC(F)(F)F)O)N
InChI
InChI=1S/C5H10F3NO2/c6-5(7,8)3-11-2-4(10)1-9/h4,10H,1-3,9H2
InChIKey
XJDVNZUUIPVNCH-UHFFFAOYSA-N
Compound name
1-amino-3-(2,2,2-trifluoroethoxy)propan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

11
Patents

173.06636 Da
Monoisotopic Mass

-0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 174.07364 132.6
[M+Na]+ 196.05558 139.3
[M-H]- 172.05908 127.1
[M+NH4]+ 191.10018 151.6
[M+K]+ 212.02952 138.4
[M+H-H2O]+ 156.06362 125.6
[M+HCOO]- 218.06456 150.3
[M+CH3COO]- 232.08021 178.4
[M+Na-2H]- 194.04103 136.4
[M]+ 173.06581 127.6
[M]- 173.06691 127.6
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