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]+ 141.113476 128.2
[M+Na]+ 163.095418 136.0
[M-H]- 139.098924 129.0
[M+NH4]+ 158.140023 148.3
[M+K]+ 179.069358 134.4
[M+H-H2O]+ 123.103460 120.6
[M+HCOO]- 185.104401 153.3
[M+CH3COO]- 199.120051 177.9
[M+Na-2H]- 161.080866 134.7
[M]+ 140.10565142 126.6
[M]- 140.10674858 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.