CID 20224832

786700-16-1

Structural Information

Molecular Formula
C7H9N3O
SMILES
C1CC(=O)N(C1)C2=CC=NN2
InChI
InChI=1S/C7H9N3O/c11-7-2-1-5-10(7)6-3-4-8-9-6/h3-4H,1-2,5H2,(H,8,9)
InChIKey
JAFQJJMOKIUWNZ-UHFFFAOYSA-N
Compound name
1-(1H-pyrazol-5-yl)pyrrolidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

28
Patents

151.07455 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 152.081826 130.8
[M+Na]+ 174.063768 138.8
[M-H]- 150.067274 132.3
[M+NH4]+ 169.108373 150.4
[M+K]+ 190.037708 136.7
[M+H-H2O]+ 134.071810 122.8
[M+HCOO]- 196.072751 151.1
[M+CH3COO]- 210.088401 143.6
[M+Na-2H]- 172.049216 133.8
[M]+ 151.07400142 126.9
[M]- 151.07509858 126.9
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