CID 4737238

1-(prop-2-yn-1-yl)pyrrolidine-2,5-dione

Structural Information

Molecular Formula
C7H7NO2
SMILES
C#CCN1C(=O)CCC1=O
InChI
InChI=1S/C7H7NO2/c1-2-5-8-6(9)3-4-7(8)10/h1H,3-5H2
InChIKey
DOTAQRZGKATJIC-UHFFFAOYSA-N
Compound name
1-prop-2-ynylpyrrolidine-2,5-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

26
Patents

137.04768 Da
Monoisotopic Mass

-0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 138.05496 124.3
[M+Na]+ 160.03690 135.3
[M-H]- 136.04040 125.4
[M+NH4]+ 155.08150 144.2
[M+K]+ 176.01084 132.4
[M+H-H2O]+ 120.04494 112.7
[M+HCOO]- 182.04588 141.3
[M+CH3COO]- 196.06153 180.8
[M+Na-2H]- 158.02235 127.5
[M]+ 137.04713 118.2
[M]- 137.04823 118.2
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