CID 4168664

1-pentyl-2,5-dihydro-1h-pyrrole-2,5-dione

Structural Information

Molecular Formula
C9H13NO2
SMILES
CCCCCN1C(=O)C=CC1=O
InChI
InChI=1S/C9H13NO2/c1-2-3-4-7-10-8(11)5-6-9(10)12/h5-6H,2-4,7H2,1H3
InChIKey
CZUQOPAKOZMIPQ-UHFFFAOYSA-N
Compound name
1-pentylpyrrole-2,5-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2522
Patents

167.09464 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 168.10192 134.9
[M+Na]+ 190.08386 143.6
[M-H]- 166.08736 137.2
[M+NH4]+ 185.12846 156.3
[M+K]+ 206.05780 141.9
[M+H-H2O]+ 150.09190 129.0
[M+HCOO]- 212.09284 158.3
[M+CH3COO]- 226.10849 179.0
[M+Na-2H]- 188.06931 138.5
[M]+ 167.09409 136.8
[M]- 167.09519 136.8
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