CID 81106108

Methyl2-amino-5-fluoropentanoatehydrochloride

Structural Information

Molecular Formula
C6H12FNO2
SMILES
COC(=O)C(CCCF)N
InChI
InChI=1S/C6H12FNO2/c1-10-6(9)5(8)3-2-4-7/h5H,2-4,8H2,1H3
InChIKey
PEJHQDQGWUBYFQ-UHFFFAOYSA-N
Compound name
methyl 2-amino-5-fluoropentanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

149.0852 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 150.09248 131.5
[M+Na]+ 172.07442 137.7
[M-H]- 148.07792 129.9
[M+NH4]+ 167.11902 152.2
[M+K]+ 188.04836 137.9
[M+H-H2O]+ 132.08246 125.6
[M+HCOO]- 194.08340 153.3
[M+CH3COO]- 208.09905 178.0
[M+Na-2H]- 170.05987 134.5
[M]+ 149.08465 130.5
[M]- 149.08575 130.5
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.