CID 121229827

1445951-23-4

Structural Information

Molecular Formula
C12H15NO5
SMILES
CC(C)(C)OC(=O)N1CC2=C(C1)OC=C2C(=O)O
InChI
InChI=1S/C12H15NO5/c1-12(2,3)18-11(16)13-4-7-8(10(14)15)6-17-9(7)5-13/h6H,4-5H2,1-3H3,(H,14,15)
InChIKey
KOZVDZLFKDTGGX-UHFFFAOYSA-N
Compound name
5-[(2-methylpropan-2-yl)oxycarbonyl]-4,6-dihydrofuro[2,3-c]pyrrole-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

253.09502 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 254.10230 156.1
[M+Na]+ 276.08424 163.8
[M-H]- 252.08774 159.2
[M+NH4]+ 271.12884 174.7
[M+K]+ 292.05818 164.2
[M+H-H2O]+ 236.09228 151.9
[M+HCOO]- 298.09322 173.7
[M+CH3COO]- 312.10887 189.7
[M+Na-2H]- 274.06969 158.1
[M]+ 253.09447 159.8
[M]- 253.09557 159.8
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.