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

449
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 142.2
[M+Na]+ 205.14237 149.7
[M-H]- 181.14587 142.4
[M+NH4]+ 200.18697 160.7
[M+K]+ 221.11631 147.0
[M+H-H2O]+ 165.15041 134.5
[M+HCOO]- 227.15135 165.7
[M+CH3COO]- 241.16700 187.6
[M+Na-2H]- 203.12782 145.3
[M]+ 182.15260 141.1
[M]- 182.15370 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