CID 313147

1-(3-hydroxypropyl)pyrrolidine-2,5-dione

Structural Information

Molecular Formula
C7H11NO3
SMILES
C1CC(=O)N(C1=O)CCCO
InChI
InChI=1S/C7H11NO3/c9-5-1-4-8-6(10)2-3-7(8)11/h9H,1-5H2
InChIKey
KZMBWDGCFLVNTQ-UHFFFAOYSA-N
Compound name
1-(3-hydroxypropyl)pyrrolidine-2,5-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

80
Patents

157.0739 Da
Monoisotopic Mass

-1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 158.081176 131.5
[M+Na]+ 180.063118 139.4
[M-H]- 156.066624 132.3
[M+NH4]+ 175.107723 152.3
[M+K]+ 196.037058 138.0
[M+H-H2O]+ 140.071160 126.0
[M+HCOO]- 202.072101 152.7
[M+CH3COO]- 216.087751 172.7
[M+Na-2H]- 178.048566 134.6
[M]+ 157.07335142 130.8
[M]- 157.07444858 130.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe