CID 47003138

2-(3-amino-1h-pyrazol-1-yl)-n,n-dimethylacetamide

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

168.1011 Da
Monoisotopic Mass

-0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 169.108376 135.9
[M+Na]+ 191.090318 143.5
[M-H]- 167.093824 138.3
[M+NH4]+ 186.134923 155.5
[M+K]+ 207.064258 143.5
[M+H-H2O]+ 151.098360 128.1
[M+HCOO]- 213.099301 160.7
[M+CH3COO]- 227.114951 185.8
[M+Na-2H]- 189.075766 139.9
[M]+ 168.10055142 136.0
[M]- 168.10164858 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