CID 510841

1h-pyrrole-3-butanoic acid, 2,4-dimethyl-a,g-dioxo-

Structural Information

Molecular Formula
C10H11NO4
SMILES
CC1=CNC(=C1C(=O)CC(=O)C(=O)O)C
InChI
InChI=1S/C10H11NO4/c1-5-4-11-6(2)9(5)7(12)3-8(13)10(14)15/h4,11H,3H2,1-2H3,(H,14,15)
InChIKey
PZIGVCOZGURMOM-UHFFFAOYSA-N
Compound name
4-(2,4-dimethyl-1H-pyrrol-3-yl)-2,4-dioxobutanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

209.0688 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 210.07608 144.0
[M+Na]+ 232.05802 151.6
[M-H]- 208.06152 144.1
[M+NH4]+ 227.10262 161.8
[M+K]+ 248.03196 149.6
[M+H-H2O]+ 192.06606 138.4
[M+HCOO]- 254.06700 163.0
[M+CH3COO]- 268.08265 182.5
[M+Na-2H]- 230.04347 143.5
[M]+ 209.06825 144.2
[M]- 209.06935 144.2
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.