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

31
Patents

151.07455 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 152.08183 130.8
[M+Na]+ 174.06377 138.8
[M-H]- 150.06727 132.3
[M+NH4]+ 169.10837 150.4
[M+K]+ 190.03771 136.7
[M+H-H2O]+ 134.07181 122.8
[M+HCOO]- 196.07275 151.1
[M+CH3COO]- 210.08840 143.6
[M+Na-2H]- 172.04922 133.8
[M]+ 151.07400 126.9
[M]- 151.07510 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