CID 84076076

N-(2-aminoethyl)-1-methyl-1h-pyrazol-3-amine

Structural Information

Molecular Formula
C6H12N4
SMILES
CN1C=CC(=N1)NCCN
InChI
InChI=1S/C6H12N4/c1-10-5-2-6(9-10)8-4-3-7/h2,5H,3-4,7H2,1H3,(H,8,9)
InChIKey
UBMVEIKIZGKSLK-UHFFFAOYSA-N
Compound name
N'-(1-methylpyrazol-3-yl)ethane-1,2-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

140.1062 Da
Monoisotopic Mass

-0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 141.11348 128.2
[M+Na]+ 163.09542 136.0
[M-H]- 139.09892 129.0
[M+NH4]+ 158.14002 148.3
[M+K]+ 179.06936 134.4
[M+H-H2O]+ 123.10346 120.6
[M+HCOO]- 185.10440 153.3
[M+CH3COO]- 199.12005 177.9
[M+Na-2H]- 161.08087 134.7
[M]+ 140.10565 126.6
[M]- 140.10675 126.6
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.