CID 130363

(4s)-4-amino-5-fluoropentanoic acid hydrochloride

Structural Information

Molecular Formula
C5H10FNO2
SMILES
C(CC(=O)O)C(CF)N
InChI
InChI=1S/C5H10FNO2/c6-3-4(7)1-2-5(8)9/h4H,1-3,7H2,(H,8,9)
InChIKey
JXSIMEWQEWYRDJ-UHFFFAOYSA-N
Compound name
4-amino-5-fluoropentanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

8
References

60
Patents

135.06955 Da
Monoisotopic Mass

-2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 136.07683 127.3
[M+Na]+ 158.05877 133.4
[M-H]- 134.06227 124.4
[M+NH4]+ 153.10337 147.6
[M+K]+ 174.03271 132.9
[M+H-H2O]+ 118.06681 121.7
[M+HCOO]- 180.06775 147.9
[M+CH3COO]- 194.08340 173.1
[M+Na-2H]- 156.04422 130.2
[M]+ 135.06900 124.0
[M]- 135.07010 124.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe