CID 130035585

2-methyl-2-(1-methyl-2,5-dioxopyrrolidin-3-yl)propanal

Structural Information

Molecular Formula
C9H13NO3
SMILES
CC(C)(C=O)C1CC(=O)N(C1=O)C
InChI
InChI=1S/C9H13NO3/c1-9(2,5-11)6-4-7(12)10(3)8(6)13/h5-6H,4H2,1-3H3
InChIKey
YYNRGHKSYVJTKX-UHFFFAOYSA-N
Compound name
2-methyl-2-(1-methyl-2,5-dioxopyrrolidin-3-yl)propanal
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

183.08954 Da
Monoisotopic Mass

-0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 184.096816 137.2
[M+Na]+ 206.078758 146.4
[M-H]- 182.082264 139.9
[M+NH4]+ 201.123363 158.1
[M+K]+ 222.052698 145.2
[M+H-H2O]+ 166.086800 132.5
[M+HCOO]- 228.087741 157.9
[M+CH3COO]- 242.103391 182.0
[M+Na-2H]- 204.064206 140.3
[M]+ 183.08899142 138.4
[M]- 183.09008858 138.4
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

No patent data available for this compound.