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]+ 252.10419 147.6
[M+Na]+ 274.08613 155.7
[M-H]- 250.08963 148.5
[M+NH4]+ 269.13073 161.1
[M+K]+ 290.06007 154.2
[M+H-H2O]+ 234.09417 142.3
[M+HCOO]- 296.09511 164.4
[M+CH3COO]- 310.11076 196.1
[M+Na-2H]- 272.07158 150.3
[M]+ 251.09636 149.4
[M]- 251.09746 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.