CID 104412

53100-44-0

Structural Information

Molecular Formula
C10H15NO5
SMILES
CC(C)(C)OC(=O)N1[C@@H](CCC1=O)C(=O)O
InChI
InChI=1S/C10H15NO5/c1-10(2,3)16-9(15)11-6(8(13)14)4-5-7(11)12/h6H,4-5H2,1-3H3,(H,13,14)/t6-/m0/s1
InChIKey
MJLQPFJGZTYCMH-LURJTMIESA-N
Compound name
(2S)-1-[(2-methylpropan-2-yl)oxycarbonyl]-5-oxopyrrolidine-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

726
Patents

229.09502 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 230.10230 148.8
[M+Na]+ 252.08424 155.6
[M-H]- 228.08774 149.8
[M+NH4]+ 247.12884 166.7
[M+K]+ 268.05818 155.5
[M+H-H2O]+ 212.09228 143.9
[M+HCOO]- 274.09322 166.2
[M+CH3COO]- 288.10887 185.3
[M+Na-2H]- 250.06969 149.4
[M]+ 229.09447 149.5
[M]- 229.09557 149.5
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