CID 124254058

2382279-87-8

Structural Information

Molecular Formula
C11H17F2NO5
SMILES
CC(C)(C)OC(=O)N1C[C@H](C[C@@H]1C(=O)O)OC(F)F
InChI
InChI=1S/C11H17F2NO5/c1-11(2,3)19-10(17)14-5-6(18-9(12)13)4-7(14)8(15)16/h6-7,9H,4-5H2,1-3H3,(H,15,16)/t6-,7+/m0/s1
InChIKey
PFTNCNHBHXRZHM-NKWVEPMBSA-N
Compound name
(2R,4S)-4-(difluoromethoxy)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

281.10748 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 282.11476 159.3
[M+Na]+ 304.09670 165.2
[M-H]- 280.10020 157.4
[M+NH4]+ 299.14130 175.0
[M+K]+ 320.07064 165.1
[M+H-H2O]+ 264.10474 152.3
[M+HCOO]- 326.10568 173.0
[M+CH3COO]- 340.12133 195.5
[M+Na-2H]- 302.08215 157.2
[M]+ 281.10693 158.0
[M]- 281.10803 158.0
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

patents stripe