CID 11459222

(2r,4r)-1-[(tert-butoxy)carbonyl]-4-methoxypyrrolidine-2-carboxylic acid

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

458
Patents

245.12633 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 246.13361 154.8
[M+Na]+ 268.11555 160.9
[M-H]- 244.11905 155.7
[M+NH4]+ 263.16015 172.2
[M+K]+ 284.08949 161.2
[M+H-H2O]+ 228.12359 149.7
[M+HCOO]- 290.12453 171.7
[M+CH3COO]- 304.14018 189.2
[M+Na-2H]- 266.10100 155.0
[M]+ 245.12578 156.6
[M]- 245.12688 156.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe