CID 118703782

N-((3-amino-1h-pyrazol-5-yl)methyl)-n-methylacetamide

Structural Information

Molecular Formula
C7H12N4O
SMILES
CC(=O)N(C)CC1=CC(=NN1)N
InChI
InChI=1S/C7H12N4O/c1-5(12)11(2)4-6-3-7(8)10-9-6/h3H,4H2,1-2H3,(H3,8,9,10)
InChIKey
WWFMCYNCEJMUQK-UHFFFAOYSA-N
Compound name
N-[(3-amino-1H-pyrazol-5-yl)methyl]-N-methylacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

168.1011 Da
Monoisotopic Mass

-0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 169.108376 136.5
[M+Na]+ 191.090318 143.7
[M-H]- 167.093824 137.5
[M+NH4]+ 186.134923 155.3
[M+K]+ 207.064258 142.8
[M+H-H2O]+ 151.098360 129.0
[M+HCOO]- 213.099301 159.8
[M+CH3COO]- 227.114951 183.2
[M+Na-2H]- 189.075766 140.0
[M]+ 168.10055142 134.7
[M]- 168.10164858 134.7
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

No patent data available for this compound.