CID 121599781

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

Structural Information

Molecular Formula
C8H11N3O
SMILES
CN1C(=CC=N1)C2CC(=O)NC2
InChI
InChI=1S/C8H11N3O/c1-11-7(2-3-10-11)6-4-8(12)9-5-6/h2-3,6H,4-5H2,1H3,(H,9,12)
InChIKey
NPGBHBWPQSTJTF-UHFFFAOYSA-N
Compound name
4-(2-methylpyrazol-3-yl)pyrrolidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

165.09021 Da
Monoisotopic Mass

-0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 166.09749 135.3
[M+Na]+ 188.07943 143.9
[M-H]- 164.08293 137.1
[M+NH4]+ 183.12403 154.7
[M+K]+ 204.05337 141.4
[M+H-H2O]+ 148.08747 127.5
[M+HCOO]- 210.08841 155.3
[M+CH3COO]- 224.10406 174.1
[M+Na-2H]- 186.06488 137.1
[M]+ 165.08966 132.2
[M]- 165.09076 132.2
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.