CID 3338044

139756-02-8

Structural Information

Molecular Formula
C8H14N4O
SMILES
CCCC1=NN(C(=C1N)C(=O)N)C
InChI
InChI=1S/C8H14N4O/c1-3-4-5-6(9)7(8(10)13)12(2)11-5/h3-4,9H2,1-2H3,(H2,10,13)
InChIKey
PZMXDLWWQHYXGY-UHFFFAOYSA-N
Compound name
4-amino-2-methyl-5-propylpyrazole-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

327
Patents

182.11676 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 183.12404 140.7
[M+Na]+ 205.10598 149.5
[M-H]- 181.10948 141.6
[M+NH4]+ 200.15058 159.3
[M+K]+ 221.07992 147.4
[M+H-H2O]+ 165.11402 133.5
[M+HCOO]- 227.11496 163.9
[M+CH3COO]- 241.13061 187.9
[M+Na-2H]- 203.09143 142.3
[M]+ 182.11621 139.6
[M]- 182.11731 139.6
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

patents stripe