CID 28065173

2-(4-amino-1h-pyrazol-1-yl)-n-methylacetamide

Structural Information

Molecular Formula
C6H10N4O
SMILES
CNC(=O)CN1C=C(C=N1)N
InChI
InChI=1S/C6H10N4O/c1-8-6(11)4-10-3-5(7)2-9-10/h2-3H,4,7H2,1H3,(H,8,11)
InChIKey
FRUYIVIAILMCPE-UHFFFAOYSA-N
Compound name
2-(4-aminopyrazol-1-yl)-N-methylacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

71
Patents

154.08546 Da
Monoisotopic Mass

-1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 155.09274 131.2
[M+Na]+ 177.07468 139.0
[M-H]- 153.07818 132.2
[M+NH4]+ 172.11928 150.6
[M+K]+ 193.04862 137.9
[M+H-H2O]+ 137.08272 123.7
[M+HCOO]- 199.08366 155.8
[M+CH3COO]- 213.09931 179.3
[M+Na-2H]- 175.06013 136.4
[M]+ 154.08491 129.6
[M]- 154.08601 129.6
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