CID 121604477

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-/m1/s1
InChIKey
CXLBNZMVYLXSHY-RNFRBKRXSA-N
Compound name
(3S,4S)-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 162.1
[M+Na]+ 288.10180 166.5
[M+NH4]+ 283.14640 165.1
[M+K]+ 304.07574 167.0
[M-H]- 264.10530 155.9
[M+Na-2H]- 286.08725 160.2
[M]+ 265.11203 160.2
[M]- 265.11313 160.2
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.