CID 83678750

1499790-44-1

Structural Information

Molecular Formula
C10H15NO4
SMILES
CC(C)(C)OC(=O)N1CCC(=C1)C(=O)O
InChI
InChI=1S/C10H15NO4/c1-10(2,3)15-9(14)11-5-4-7(6-11)8(12)13/h6H,4-5H2,1-3H3,(H,12,13)
InChIKey
CNUBGENXKRDPJH-UHFFFAOYSA-N
Compound name
1-[(2-methylpropan-2-yl)oxycarbonyl]-2,3-dihydropyrrole-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

213.10011 Da
Monoisotopic Mass

0.8
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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.