CID 44229278

N-methyl-1h,4h,5h,6h-cyclopenta[c]pyrazole-3-carboxamide

Structural Information

Molecular Formula
C8H11N3O
SMILES
CNC(=O)C1=NNC2=C1CCC2
InChI
InChI=1S/C8H11N3O/c1-9-8(12)7-5-3-2-4-6(5)10-11-7/h2-4H2,1H3,(H,9,12)(H,10,11)
InChIKey
TYDCMCXSYOEORK-UHFFFAOYSA-N
Compound name
N-methyl-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

165.09021 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 166.097486 135.3
[M+Na]+ 188.079428 142.9
[M-H]- 164.082934 136.1
[M+NH4]+ 183.124033 156.8
[M+K]+ 204.053368 140.7
[M+H-H2O]+ 148.087470 128.6
[M+HCOO]- 210.088411 156.5
[M+CH3COO]- 224.104061 176.6
[M+Na-2H]- 186.064876 139.1
[M]+ 165.08966142 132.6
[M]- 165.09075858 132.6
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