CID 130118811

3-amino-1-(1h-pyrazol-3-yl)pyrrolidin-2-one dihydrochloride

Structural Information

Molecular Formula
C7H10N4O
SMILES
C1CN(C(=O)C1N)C2=CC=NN2
InChI
InChI=1S/C7H10N4O/c8-5-2-4-11(7(5)12)6-1-3-9-10-6/h1,3,5H,2,4,8H2,(H,9,10)
InChIKey
WOYRAVCVGBGSFO-UHFFFAOYSA-N
Compound name
3-amino-1-(1H-pyrazol-5-yl)pyrrolidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

166.08546 Da
Monoisotopic Mass

-0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 167.092736 134.2
[M+Na]+ 189.074678 142.3
[M-H]- 165.078184 135.7
[M+NH4]+ 184.119283 152.9
[M+K]+ 205.048618 139.6
[M+H-H2O]+ 149.082720 126.1
[M+HCOO]- 211.083661 154.9
[M+CH3COO]- 225.099311 146.6
[M+Na-2H]- 187.060126 136.2
[M]+ 166.08491142 129.1
[M]- 166.08600858 129.1
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

No patent data available for this compound.