CID 43519509

1-(1-methyl-1h-pyrazol-4-yl)ethane-1,2-diamine

Structural Information

Molecular Formula
C6H12N4
SMILES
CN1C=C(C=N1)C(CN)N
InChI
InChI=1S/C6H12N4/c1-10-4-5(3-9-10)6(8)2-7/h3-4,6H,2,7-8H2,1H3
InChIKey
HIWAIHBATLLXPU-UHFFFAOYSA-N
Compound name
1-(1-methylpyrazol-4-yl)ethane-1,2-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

140.1062 Da
Monoisotopic Mass

-1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 141.113476 129.4
[M+Na]+ 163.095418 137.0
[M-H]- 139.098924 129.9
[M+NH4]+ 158.140023 149.2
[M+K]+ 179.069358 135.6
[M+H-H2O]+ 123.103460 122.0
[M+HCOO]- 185.104401 152.9
[M+CH3COO]- 199.120051 178.1
[M+Na-2H]- 161.080866 133.6
[M]+ 140.10565142 126.2
[M]- 140.10674858 126.2
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

patents stripe