CID 72218478

1393529-99-1

Structural Information

Molecular Formula
C10H15F2NO4
SMILES
CC(C)(C)OC(=O)NC(C1CC1(F)F)C(=O)O
InChI
InChI=1S/C10H15F2NO4/c1-9(2,3)17-8(16)13-6(7(14)15)5-4-10(5,11)12/h5-6H,4H2,1-3H3,(H,13,16)(H,14,15)
InChIKey
OTJZIIHIAYYKBA-UHFFFAOYSA-N
Compound name
2-(2,2-difluorocyclopropyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

251.09691 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 252.104186 147.6
[M+Na]+ 274.086128 155.7
[M-H]- 250.089634 148.5
[M+NH4]+ 269.130733 161.1
[M+K]+ 290.060068 154.2
[M+H-H2O]+ 234.094170 142.3
[M+HCOO]- 296.095111 164.4
[M+CH3COO]- 310.110761 196.1
[M+Na-2H]- 272.071576 150.3
[M]+ 251.09636142 149.4
[M]- 251.09745858 149.4
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.