CID 73553996

1822549-84-7

Structural Information

Molecular Formula
C9H13F2NO4
SMILES
CC(C)(C)OC(=O)N1CC(C1C(=O)O)(F)F
InChI
InChI=1S/C9H13F2NO4/c1-8(2,3)16-7(15)12-4-9(10,11)5(12)6(13)14/h5H,4H2,1-3H3,(H,13,14)
InChIKey
SNIQPSBTDHQLPU-UHFFFAOYSA-N
Compound name
3,3-difluoro-1-[(2-methylpropan-2-yl)oxycarbonyl]azetidine-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

237.08127 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 238.08855 151.6
[M+Na]+ 260.07049 158.2
[M-H]- 236.07399 150.3
[M+NH4]+ 255.11509 163.0
[M+K]+ 276.04443 160.8
[M+H-H2O]+ 220.07853 141.0
[M+HCOO]- 282.07947 165.4
[M+CH3COO]- 296.09512 191.1
[M+Na-2H]- 258.05594 153.2
[M]+ 237.08072 159.2
[M]- 237.08182 159.2
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