CID 59788986

90104-21-5

Structural Information

Molecular Formula
C10H15NO4
SMILES
CC(C)(C)OC(=O)N1C=CC[C@H]1C(=O)O
InChI
InChI=1S/C10H15NO4/c1-10(2,3)15-9(14)11-6-4-5-7(11)8(12)13/h4,6-7H,5H2,1-3H3,(H,12,13)/t7-/m0/s1
InChIKey
BGAMGLYMXSMZPL-ZETCQYMHSA-N
Compound name
(2S)-1-[(2-methylpropan-2-yl)oxycarbonyl]-2,3-dihydropyrrole-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

238
Patents

213.10011 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 214.10739 147.3
[M+Na]+ 236.08933 154.9
[M+NH4]+ 231.13393 152.4
[M+K]+ 252.06327 154.7
[M-H]- 212.09283 144.5
[M+Na-2H]- 234.07478 148.8
[M]+ 213.09956 147.1
[M]- 213.10066 147.1
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