CID 97774704

215922-88-6

Structural Information

Molecular Formula
C11H19NO5
SMILES
CC(C)(C)OC(=O)N1C[C@H]([C@@H](C1)O)CC(=O)O
InChI
InChI=1S/C11H19NO5/c1-11(2,3)17-10(16)12-5-7(4-9(14)15)8(13)6-12/h7-8,13H,4-6H2,1-3H3,(H,14,15)/t7-,8-/m1/s1
InChIKey
FRFQLACEQVFDJH-HTQZYQBOSA-N
Compound name
2-[(3R,4S)-4-hydroxy-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-3-yl]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

245.12633 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 246.13361 155.8
[M+Na]+ 268.11555 161.4
[M-H]- 244.11905 155.2
[M+NH4]+ 263.16015 172.4
[M+K]+ 284.08949 160.8
[M+H-H2O]+ 228.12359 150.8
[M+HCOO]- 290.12453 171.1
[M+CH3COO]- 304.14018 186.8
[M+Na-2H]- 266.10100 155.3
[M]+ 245.12578 155.6
[M]- 245.12688 155.6
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.