CID 11033491

120205-50-7

Structural Information

Molecular Formula
C14H25NO5
SMILES
C[C@H]([C@H]([C@@H]1CCCN1C(=O)OC(C)(C)C)OC)C(=O)O
InChI
InChI=1S/C14H25NO5/c1-9(12(16)17)11(19-5)10-7-6-8-15(10)13(18)20-14(2,3)4/h9-11H,6-8H2,1-5H3,(H,16,17)/t9-,10+,11-/m1/s1
InChIKey
LNEHHTWYEBGHBY-OUAUKWLOSA-N
Compound name
(2R,3R)-3-methoxy-2-methyl-3-[(2S)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

434
Patents

287.17328 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 288.18056 168.3
[M+Na]+ 310.16250 171.7
[M-H]- 286.16600 168.4
[M+NH4]+ 305.20710 183.6
[M+K]+ 326.13644 172.4
[M+H-H2O]+ 270.17054 162.7
[M+HCOO]- 332.17148 182.2
[M+CH3COO]- 346.18713 198.7
[M+Na-2H]- 308.14795 165.3
[M]+ 287.17273 169.5
[M]- 287.17383 169.5
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