CID 12165538

4-fluoro-4-methyl-2-(pent-4-enamido)pentanoic acid

Structural Information

Molecular Formula
C11H18FNO3
SMILES
CC(C)(CC(C(=O)O)NC(=O)CCC=C)F
InChI
InChI=1S/C11H18FNO3/c1-4-5-6-9(14)13-8(10(15)16)7-11(2,3)12/h4,8H,1,5-7H2,2-3H3,(H,13,14)(H,15,16)
InChIKey
WYIWQFPRFJLFKZ-UHFFFAOYSA-N
Compound name
4-fluoro-4-methyl-2-(pent-4-enoylamino)pentanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

231.12708 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 232.134356 153.4
[M+Na]+ 254.116298 158.0
[M-H]- 230.119804 150.5
[M+NH4]+ 249.160903 170.2
[M+K]+ 270.090238 156.5
[M+H-H2O]+ 214.124340 147.6
[M+HCOO]- 276.125281 170.9
[M+CH3COO]- 290.140931 192.6
[M+Na-2H]- 252.101746 154.1
[M]+ 231.12653142 152.3
[M]- 231.12762858 152.3
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