CID 233208

3-pyrrolidinone

Structural Information

Molecular Formula
C4H7NO
SMILES
C1CNCC1=O
InChI
InChI=1S/C4H7NO/c6-4-1-2-5-3-4/h5H,1-3H2
InChIKey
QGKLPGKXAVVPOJ-UHFFFAOYSA-N
Compound name
pyrrolidin-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

7
References

3273
Patents

85.052765 Da
Monoisotopic Mass

-0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 86.060041 115.6
[M+Na]+ 108.04198 125.5
[M+NH4]+ 103.08659 124.1
[M+K]+ 124.01592 122.1
[M-H]- 84.045489 115.7
[M+Na-2H]- 106.02743 120.2
[M]+ 85.052216 116.6
[M]- 85.053314 116.6
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