CID 178200089

1-(2-{[(tert-butoxy)carbonyl]amino}ethyl)-2,2-difluorocyclopropane-1-carboxylic acid

Structural Information

Molecular Formula
C11H17F2NO4
SMILES
CC(C)(C)OC(=O)NCCC1(CC1(F)F)C(=O)O
InChI
InChI=1S/C11H17F2NO4/c1-9(2,3)18-8(17)14-5-4-10(7(15)16)6-11(10,12)13/h4-6H2,1-3H3,(H,14,17)(H,15,16)
InChIKey
OIFSSRVXLWWBHG-UHFFFAOYSA-N
Compound name
2,2-difluoro-1-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]cyclopropane-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

265.11258 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 266.11986 152.3
[M+Na]+ 288.10180 160.9
[M-H]- 264.10530 153.4
[M+NH4]+ 283.14640 167.3
[M+K]+ 304.07574 159.8
[M+H-H2O]+ 248.10984 148.3
[M+HCOO]- 310.11078 169.4
[M+CH3COO]- 324.12643 197.8
[M+Na-2H]- 286.08725 157.0
[M]+ 265.11203 155.7
[M]- 265.11313 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

No patent data available for this compound.