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

8
Patents

140.1062 Da
Monoisotopic Mass

-1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 141.11348 129.4
[M+Na]+ 163.09542 137.0
[M-H]- 139.09892 129.9
[M+NH4]+ 158.14002 149.2
[M+K]+ 179.06936 135.6
[M+H-H2O]+ 123.10346 122.0
[M+HCOO]- 185.10440 152.9
[M+CH3COO]- 199.12005 178.1
[M+Na-2H]- 161.08087 133.6
[M]+ 140.10565 126.2
[M]- 140.10675 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