CID 168267177

1993278-98-0

Structural Information

Molecular Formula
C11H17F2NO4
SMILES
CC(C)(C)OC(=O)N1C[C@@H]([C@H](C1)C(=O)O)C(F)F
InChI
InChI=1S/C11H17F2NO4/c1-11(2,3)18-10(17)14-4-6(8(12)13)7(5-14)9(15)16/h6-8H,4-5H2,1-3H3,(H,15,16)/t6-,7-/m0/s1
InChIKey
CXLBNZMVYLXSHY-BQBZGAKWSA-N
Compound name
(3R,4R)-4-(difluoromethyl)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

265.11258 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 266.11986 156.9
[M+Na]+ 288.10180 163.0
[M-H]- 264.10530 155.1
[M+NH4]+ 283.14640 173.4
[M+K]+ 304.07574 162.3
[M+H-H2O]+ 248.10984 150.1
[M+HCOO]- 310.11078 170.5
[M+CH3COO]- 324.12643 193.4
[M+Na-2H]- 286.08725 154.6
[M]+ 265.11203 154.2
[M]- 265.11313 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.