CID 16451177

4-acetyl-3,5-dimethyl-1h-pyrrole-2-carbohydrazide

Structural Information

Molecular Formula
C9H13N3O2
SMILES
CC1=C(NC(=C1C(=O)C)C)C(=O)NN
InChI
InChI=1S/C9H13N3O2/c1-4-7(6(3)13)5(2)11-8(4)9(14)12-10/h11H,10H2,1-3H3,(H,12,14)
InChIKey
QYFXQABQFBEHTE-UHFFFAOYSA-N
Compound name
4-acetyl-3,5-dimethyl-1H-pyrrole-2-carbohydrazide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

195.10077 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 196.10805 143.5
[M+Na]+ 218.08999 151.3
[M-H]- 194.09349 144.9
[M+NH4]+ 213.13459 162.3
[M+K]+ 234.06393 149.1
[M+H-H2O]+ 178.09803 137.3
[M+HCOO]- 240.09897 166.2
[M+CH3COO]- 254.11462 187.8
[M+Na-2H]- 216.07544 144.0
[M]+ 195.10022 141.3
[M]- 195.10132 141.3
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

No patent data available for this compound.