CID 45088316

785834-47-1

Structural Information

Molecular Formula
C6H8N4O
SMILES
C1CN(C(=O)N1)C2=CC=NN2
InChI
InChI=1S/C6H8N4O/c11-6-7-3-4-10(6)5-1-2-8-9-5/h1-2H,3-4H2,(H,7,11)(H,8,9)
InChIKey
LWBUPBMJCRARCE-UHFFFAOYSA-N
Compound name
1-(1H-pyrazol-5-yl)imidazolidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

49
Patents

152.06981 Da
Monoisotopic Mass

-0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 153.07709 131.5
[M+Na]+ 175.05903 139.6
[M-H]- 151.06253 130.5
[M+NH4]+ 170.10363 149.0
[M+K]+ 191.03297 136.7
[M+H-H2O]+ 135.06707 123.0
[M+HCOO]- 197.06801 149.3
[M+CH3COO]- 211.08366 143.3
[M+Na-2H]- 173.04448 134.3
[M]+ 152.06926 126.0
[M]- 152.07036 126.0
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