CID 2060975

N-(2-aminoethyl)-1-methyl-1h-pyrazole-5-carboxamide

Structural Information

Molecular Formula
C7H12N4O
SMILES
CN1C(=CC=N1)C(=O)NCCN
InChI
InChI=1S/C7H12N4O/c1-11-6(2-4-10-11)7(12)9-5-3-8/h2,4H,3,5,8H2,1H3,(H,9,12)
InChIKey
QGZIEKXDLGNMGU-UHFFFAOYSA-N
Compound name
N-(2-aminoethyl)-2-methylpyrazole-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

168.1011 Da
Monoisotopic Mass

-1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 169.108376 135.7
[M+Na]+ 191.090318 143.1
[M-H]- 167.093824 136.6
[M+NH4]+ 186.134923 154.6
[M+K]+ 207.064258 141.7
[M+H-H2O]+ 151.098360 128.0
[M+HCOO]- 213.099301 160.0
[M+CH3COO]- 227.114951 182.3
[M+Na-2H]- 189.075766 140.4
[M]+ 168.10055142 134.5
[M]- 168.10164858 134.5
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

No patent data available for this compound.