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]+ 232.13436 153.4
[M+Na]+ 254.11630 158.0
[M-H]- 230.11980 150.5
[M+NH4]+ 249.16090 170.2
[M+K]+ 270.09024 156.5
[M+H-H2O]+ 214.12434 147.6
[M+HCOO]- 276.12528 170.9
[M+CH3COO]- 290.14093 192.6
[M+Na-2H]- 252.10175 154.1
[M]+ 231.12653 152.3
[M]- 231.12763 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