CID 11593804

(2s)-1-(tert-butoxycarbonyl)-4-oxopyrrolidine-2-carboxylic acid

Structural Information

Molecular Formula
C10H15NO5
SMILES
CC(C)(C)OC(=O)N1CC(=O)C[C@H]1C(=O)O
InChI
InChI=1S/C10H15NO5/c1-10(2,3)16-9(15)11-5-6(12)4-7(11)8(13)14/h7H,4-5H2,1-3H3,(H,13,14)/t7-/m0/s1
InChIKey
CKYGSXRXTIKGAJ-ZETCQYMHSA-N
Compound name
(2S)-1-[(2-methylpropan-2-yl)oxycarbonyl]-4-oxopyrrolidine-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

745
Patents

229.09502 Da
Monoisotopic Mass

0.3
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