CID 122197530

Refchem:927839

Structural Information

Molecular Formula
C6H10FNO2
SMILES
CC1(CC(C1)(C(=O)O)N)[18F]
InChI
InChI=1S/C6H10FNO2/c1-5(7)2-6(8,3-5)4(9)10/h2-3,8H2,1H3,(H,9,10)/i7-1
InChIKey
ILMJJAKSEOUEPX-JZRMKITLSA-N
Compound name
1-amino-3-(18F)fluoranyl-3-methylcyclobutane-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

224
References

32
Patents

146.0721 Da
Monoisotopic Mass

-2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 147.07938 132.2
[M+Na]+ 169.06132 138.9
[M-H]- 145.06482 133.5
[M+NH4]+ 164.10592 149.6
[M+K]+ 185.03526 140.8
[M+H-H2O]+ 129.06936 124.0
[M+HCOO]- 191.07030 151.5
[M+CH3COO]- 205.08595 177.3
[M+Na-2H]- 167.04677 137.0
[M]+ 146.07155 136.9
[M]- 146.07265 136.9
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