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
2
Annotation Hits

0
References

228
Patents

213.10011 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 214.107386 147.1
[M+Na]+ 236.089328 153.9
[M-H]- 212.092834 148.2
[M+NH4]+ 231.133933 165.7
[M+K]+ 252.063268 153.6
[M+H-H2O]+ 196.097370 141.8
[M+HCOO]- 258.098311 165.5
[M+CH3COO]- 272.113961 182.3
[M+Na-2H]- 234.074776 149.0
[M]+ 213.09956142 148.0
[M]- 213.10065858 148.0
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