CID 69718352

1-hexyl 4,5-diamino pyrazole sulfate

Structural Information

Molecular Formula
C9H18N4
SMILES
CCCCCCN1C(=C(C=N1)N)N
InChI
InChI=1S/C9H18N4/c1-2-3-4-5-6-13-9(11)8(10)7-12-13/h7H,2-6,10-11H2,1H3
InChIKey
VXJSHSKTNNDZPM-UHFFFAOYSA-N
Compound name
2-hexylpyrazole-3,4-diamine
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

439
Patents

182.15315 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 183.16043 141.7
[M+Na]+ 205.14237 150.7
[M+NH4]+ 200.18697 148.5
[M+K]+ 221.11631 147.1
[M-H]- 181.14587 142.6
[M+Na-2H]- 203.12782 145.6
[M]+ 182.15260 142.8
[M]- 182.15370 142.8
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