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]+ 169.10838 135.7
[M+Na]+ 191.09032 143.1
[M-H]- 167.09382 136.6
[M+NH4]+ 186.13492 154.6
[M+K]+ 207.06426 141.7
[M+H-H2O]+ 151.09836 128.0
[M+HCOO]- 213.09930 160.0
[M+CH3COO]- 227.11495 182.3
[M+Na-2H]- 189.07577 140.4
[M]+ 168.10055 134.5
[M]- 168.10165 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.