CID 87073790

Methyl 5-amino-4,4-difluoropentanoate hydrochloride

Structural Information

Molecular Formula
C6H11F2NO2
SMILES
COC(=O)CCC(CN)(F)F
InChI
InChI=1S/C6H11F2NO2/c1-11-5(10)2-3-6(7,8)4-9/h2-4,9H2,1H3
InChIKey
FCEOITLLXVHOSG-UHFFFAOYSA-N
Compound name
methyl 5-amino-4,4-difluoropentanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

23
Patents

167.07579 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 168.08307 133.0
[M+Na]+ 190.06501 140.0
[M-H]- 166.06851 130.3
[M+NH4]+ 185.10961 153.1
[M+K]+ 206.03895 139.7
[M+H-H2O]+ 150.07305 126.7
[M+HCOO]- 212.07399 153.3
[M+CH3COO]- 226.08964 180.2
[M+Na-2H]- 188.05046 137.5
[M]+ 167.07524 130.9
[M]- 167.07634 130.9
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