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

70
Patents

157.0739 Da
Monoisotopic Mass

-1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 158.08118 131.5
[M+Na]+ 180.06312 139.4
[M-H]- 156.06662 132.3
[M+NH4]+ 175.10772 152.3
[M+K]+ 196.03706 138.0
[M+H-H2O]+ 140.07116 126.0
[M+HCOO]- 202.07210 152.7
[M+CH3COO]- 216.08775 172.7
[M+Na-2H]- 178.04857 134.6
[M]+ 157.07335 130.8
[M]- 157.07445 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