CID 28280666

2-(4-amino-1h-pyrazol-1-yl)-n,n-dimethylacetamide

Structural Information

Molecular Formula
C7H12N4O
SMILES
CN(C)C(=O)CN1C=C(C=N1)N
InChI
InChI=1S/C7H12N4O/c1-10(2)7(12)5-11-4-6(8)3-9-11/h3-4H,5,8H2,1-2H3
InChIKey
AURGRUDLXONNHV-UHFFFAOYSA-N
Compound name
2-(4-aminopyrazol-1-yl)-N,N-dimethylacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

23
Patents

168.1011 Da
Monoisotopic Mass

-0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 169.10838 135.9
[M+Na]+ 191.09032 143.5
[M-H]- 167.09382 138.3
[M+NH4]+ 186.13492 155.5
[M+K]+ 207.06426 143.5
[M+H-H2O]+ 151.09836 128.1
[M+HCOO]- 213.09930 160.7
[M+CH3COO]- 227.11495 185.8
[M+Na-2H]- 189.07577 139.9
[M]+ 168.10055 136.0
[M]- 168.10165 136.0
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