CID 105509933

1781342-40-2

Structural Information

Molecular Formula
C10H17F2NO4
SMILES
CC(C)(C)OC(=O)N(C)C(CC(=O)O)C(F)F
InChI
InChI=1S/C10H17F2NO4/c1-10(2,3)17-9(16)13(4)6(8(11)12)5-7(14)15/h6,8H,5H2,1-4H3,(H,14,15)
InChIKey
QMDLUAJGJSINFQ-UHFFFAOYSA-N
Compound name
4,4-difluoro-3-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]butanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

253.11256 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 254.11984 154.2
[M+Na]+ 276.10178 159.1
[M-H]- 252.10528 151.8
[M+NH4]+ 271.14638 170.8
[M+K]+ 292.07572 160.7
[M+H-H2O]+ 236.10982 147.5
[M+HCOO]- 298.11076 170.7
[M+CH3COO]- 312.12641 198.4
[M+Na-2H]- 274.08723 153.2
[M]+ 253.11201 154.2
[M]- 253.11311 154.2
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

No patent data available for this compound.