CID 86222896

847986-13-4

Structural Information

Molecular Formula
C10H17F2NO4
SMILES
CCOC(=O)C(CNC(=O)OC(C)(C)C)(F)F
InChI
InChI=1S/C10H17F2NO4/c1-5-16-7(14)10(11,12)6-13-8(15)17-9(2,3)4/h5-6H2,1-4H3,(H,13,15)
InChIKey
LYQQVOPAOGCYKT-UHFFFAOYSA-N
Compound name
ethyl 2,2-difluoro-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

11
Patents

253.11256 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 254.11984 154.4
[M+Na]+ 276.10178 160.3
[M-H]- 252.10528 152.0
[M+NH4]+ 271.14638 171.4
[M+K]+ 292.07572 160.8
[M+H-H2O]+ 236.10982 148.0
[M+HCOO]- 298.11076 172.2
[M+CH3COO]- 312.12641 195.4
[M+Na-2H]- 274.08723 158.0
[M]+ 253.11201 155.7
[M]- 253.11311 155.7
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