CID 75356274

4-(1,5-dimethyl-1h-pyrazol-4-yl)pyrrolidin-2-one

Structural Information

Molecular Formula
C9H13N3O
SMILES
CC1=C(C=NN1C)C2CC(=O)NC2
InChI
InChI=1S/C9H13N3O/c1-6-8(5-11-12(6)2)7-3-9(13)10-4-7/h5,7H,3-4H2,1-2H3,(H,10,13)
InChIKey
YOMGJTQENNBASM-UHFFFAOYSA-N
Compound name
4-(1,5-dimethylpyrazol-4-yl)pyrrolidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

179.10587 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 180.113146 139.7
[M+Na]+ 202.095088 148.8
[M-H]- 178.098594 141.8
[M+NH4]+ 197.139693 158.9
[M+K]+ 218.069028 146.0
[M+H-H2O]+ 162.103130 132.2
[M+HCOO]- 224.104071 159.4
[M+CH3COO]- 238.119721 178.2
[M+Na-2H]- 200.080536 140.4
[M]+ 179.10532142 137.4
[M]- 179.10641858 137.4
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.