CID 3017452

Einecs 264-432-3

Structural Information

Molecular Formula
C12H15NO4
SMILES
CC1=C(C(=O)N(C1=O)CCOC(=O)C(=C)C)C
InChI
InChI=1S/C12H15NO4/c1-7(2)12(16)17-6-5-13-10(14)8(3)9(4)11(13)15/h1,5-6H2,2-4H3
InChIKey
MTFZCGPANOZASK-UHFFFAOYSA-N
Compound name
2-(3,4-dimethyl-2,5-dioxopyrrol-1-yl)ethyl 2-methylprop-2-enoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

327
Patents

237.10011 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 238.107386 149.4
[M+Na]+ 260.089328 158.6
[M-H]- 236.092834 152.3
[M+NH4]+ 255.133933 168.2
[M+K]+ 276.063268 156.9
[M+H-H2O]+ 220.097370 143.9
[M+HCOO]- 282.098311 170.6
[M+CH3COO]- 296.113961 194.0
[M+Na-2H]- 258.074776 148.1
[M]+ 237.09956142 153.4
[M]- 237.10065858 153.4
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