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
1-hexylpyrazole-4,5-diamine
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

458
Patents

182.15315 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 183.160426 142.2
[M+Na]+ 205.142368 149.7
[M-H]- 181.145874 142.4
[M+NH4]+ 200.186973 160.7
[M+K]+ 221.116308 147.0
[M+H-H2O]+ 165.150410 134.5
[M+HCOO]- 227.151351 165.7
[M+CH3COO]- 241.167001 187.6
[M+Na-2H]- 203.127816 145.3
[M]+ 182.15260142 141.1
[M]- 182.15369858 141.1
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