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]+ 252.10419 157.7
[M+Na]+ 274.08613 162.8
[M-H]- 250.08963 156.0
[M+NH4]+ 269.13073 168.2
[M+K]+ 290.06007 165.7
[M+H-H2O]+ 234.09417 146.7
[M+HCOO]- 296.09511 170.3
[M+CH3COO]- 310.11076 193.6
[M+Na-2H]- 272.07158 158.2
[M]+ 251.09636 164.7
[M]- 251.09746 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