CID 25260274

1-[(tert-butoxy)carbonyl]-3-fluoroazetidine-3-carboxylic acid

Structural Information

Molecular Formula
C9H14FNO4
SMILES
CC(C)(C)OC(=O)N1CC(C1)(C(=O)O)F
InChI
InChI=1S/C9H14FNO4/c1-8(2,3)15-7(14)11-4-9(10,5-11)6(12)13/h4-5H2,1-3H3,(H,12,13)
InChIKey
FJLIZBBURXQODR-UHFFFAOYSA-N
Compound name
3-fluoro-1-[(2-methylpropan-2-yl)oxycarbonyl]azetidine-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

132
Patents

219.09068 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 220.09796 149.1
[M+Na]+ 242.07990 154.8
[M-H]- 218.08340 148.9
[M+NH4]+ 237.12450 161.1
[M+K]+ 258.05384 157.8
[M+H-H2O]+ 202.08794 139.1
[M+HCOO]- 264.08888 164.0
[M+CH3COO]- 278.10453 187.2
[M+Na-2H]- 240.06535 151.9
[M]+ 219.09013 157.6
[M]- 219.09123 157.6
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