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]+ 184.09682 137.2
[M+Na]+ 206.07876 146.4
[M-H]- 182.08226 139.9
[M+NH4]+ 201.12336 158.1
[M+K]+ 222.05270 145.2
[M+H-H2O]+ 166.08680 132.5
[M+HCOO]- 228.08774 157.9
[M+CH3COO]- 242.10339 182.0
[M+Na-2H]- 204.06421 140.3
[M]+ 183.08899 138.4
[M]- 183.09009 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.