CID 3504483

51077-13-5

Structural Information

Molecular Formula
C10H15NO4
SMILES
CC(C)(C)OC(=O)N1CC=CC1C(=O)O
InChI
InChI=1S/C10H15NO4/c1-10(2,3)15-9(14)11-6-4-5-7(11)8(12)13/h4-5,7H,6H2,1-3H3,(H,12,13)
InChIKey
BMIGSRMSSCUMAZ-UHFFFAOYSA-N
Compound name
1-[(2-methylpropan-2-yl)oxycarbonyl]-2,5-dihydropyrrole-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

98
Patents

213.10011 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 214.10739 147.1
[M+Na]+ 236.08933 153.9
[M-H]- 212.09283 148.2
[M+NH4]+ 231.13393 165.7
[M+K]+ 252.06327 153.6
[M+H-H2O]+ 196.09737 141.8
[M+HCOO]- 258.09831 165.5
[M+CH3COO]- 272.11396 182.3
[M+Na-2H]- 234.07478 149.0
[M]+ 213.09956 148.0
[M]- 213.10066 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

literature stripe

Patent stripe

patents stripe