CID 115611832

3-((2,2-difluoroethyl)(methyl)amino)propan-1-ol

Structural Information

Molecular Formula
C6H13F2NO
SMILES
CN(CCCO)CC(F)F
InChI
InChI=1S/C6H13F2NO/c1-9(3-2-4-10)5-6(7)8/h6,10H,2-5H2,1H3
InChIKey
XOBCXUBTYIPPLI-UHFFFAOYSA-N
Compound name
3-[2,2-difluoroethyl(methyl)amino]propan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

153.09653 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 154.10381 131.9
[M+Na]+ 176.08575 137.8
[M-H]- 152.08925 129.4
[M+NH4]+ 171.13035 152.6
[M+K]+ 192.05969 138.1
[M+H-H2O]+ 136.09379 125.1
[M+HCOO]- 198.09473 152.8
[M+CH3COO]- 212.11038 181.1
[M+Na-2H]- 174.07120 135.4
[M]+ 153.09598 130.0
[M]- 153.09708 130.0
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

No patent data available for this compound.