CID 137956

1-butylpyrrolidine-2,5-dione

Structural Information

Molecular Formula
C8H13NO2
SMILES
CCCCN1C(=O)CCC1=O
InChI
InChI=1S/C8H13NO2/c1-2-3-6-9-7(10)4-5-8(9)11/h2-6H2,1H3
InChIKey
HKAIIKVJIRPASO-UHFFFAOYSA-N
Compound name
1-butylpyrrolidine-2,5-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

163
Patents

155.09464 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 156.10192 132.3
[M+Na]+ 178.08386 140.4
[M-H]- 154.08736 134.5
[M+NH4]+ 173.12846 154.1
[M+K]+ 194.05780 139.2
[M+H-H2O]+ 138.09190 126.7
[M+HCOO]- 200.09284 154.6
[M+CH3COO]- 214.10849 176.3
[M+Na-2H]- 176.06931 135.5
[M]+ 155.09409 132.5
[M]- 155.09519 132.5
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