CID 105509226

1784562-69-1

Structural Information

Molecular Formula
C10H15F2NO4
SMILES
CC(C)(C)OC(=O)N1CC(C1)(C(F)F)C(=O)O
InChI
InChI=1S/C10H15F2NO4/c1-9(2,3)17-8(16)13-4-10(5-13,6(11)12)7(14)15/h6H,4-5H2,1-3H3,(H,14,15)
InChIKey
YYYNAZUUVRSZJZ-UHFFFAOYSA-N
Compound name
3-(difluoromethyl)-1-[(2-methylpropan-2-yl)oxycarbonyl]azetidine-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

251.09691 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 252.104186 157.7
[M+Na]+ 274.086128 162.8
[M-H]- 250.089634 156.0
[M+NH4]+ 269.130733 168.2
[M+K]+ 290.060068 165.7
[M+H-H2O]+ 234.094170 146.7
[M+HCOO]- 296.095111 170.3
[M+CH3COO]- 310.110761 193.6
[M+Na-2H]- 272.071576 158.2
[M]+ 251.09636142 164.7
[M]- 251.09745858 164.7
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