CID 62581792

3-amino-1,1-difluoropentan-2-ol hydrochloride

Structural Information

Molecular Formula
C5H11F2NO
SMILES
CCC(C(C(F)F)O)N
InChI
InChI=1S/C5H11F2NO/c1-2-3(8)4(9)5(6)7/h3-5,9H,2,8H2,1H3
InChIKey
ARXJBEMSIHEXAD-UHFFFAOYSA-N
Compound name
3-amino-1,1-difluoropentan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

139.08087 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 140.08815 128.7
[M+Na]+ 162.07009 134.4
[M-H]- 138.07359 124.5
[M+NH4]+ 157.11469 148.9
[M+K]+ 178.04403 134.1
[M+H-H2O]+ 122.07813 122.3
[M+HCOO]- 184.07907 146.8
[M+CH3COO]- 198.09472 175.7
[M+Na-2H]- 160.05554 129.7
[M]+ 139.08032 122.8
[M]- 139.08142 122.8
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.