CID 258392

18283-34-6

Structural Information

Molecular Formula

SMILES

CCC(C(=O)N)(C(=O)O)F

InChI

InChI=1S/C5H8FNO3/c1-2-5(6,3(7)8)4(9)10/h2H2,1H3,(H2,7,8)(H,9,10)

InChIKey

AJEJKXMSLAFPEZ-UHFFFAOYSA-N

Compound name

2-carbamoyl-2-fluorobutanoic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 149.04883 Da
Monoisotopic Mass: 0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	150.05611	127.6
[M+Na]+	172.03805	134.4
[M-H]-	148.04155	125.0
[M+NH4]+	167.08265	147.4
[M+K]+	188.01199	134.2
[M+H-H2O]+	132.04609	122.6
[M+HCOO]-	194.04703	147.1
[M+CH3COO]-	208.06268	174.5
[M+Na-2H]-	170.02350	131.4
[M]+	149.04828	124.6
[M]-	149.04938	124.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe