CID 70280

934-48-5

Structural Information

Molecular Formula
C6H9N3O
SMILES
CC1=CC(=NN1C(=O)N)C
InChI
InChI=1S/C6H9N3O/c1-4-3-5(2)9(8-4)6(7)10/h3H,1-2H3,(H2,7,10)
InChIKey
AKRDSDDYNMVKCX-UHFFFAOYSA-N
Compound name
3,5-dimethylpyrazole-1-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

1703
Patents

139.07455 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 140.081826 127.5
[M+Na]+ 162.063768 137.2
[M-H]- 138.067274 128.9
[M+NH4]+ 157.108373 148.3
[M+K]+ 178.037708 136.1
[M+H-H2O]+ 122.071810 120.9
[M+HCOO]- 184.072751 151.0
[M+CH3COO]- 198.088401 175.4
[M+Na-2H]- 160.049216 131.6
[M]+ 139.07400142 127.1
[M]- 139.07509858 127.1
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