CID 61732847

1-cyclohexyl-4-nitro-1h-pyrazol-5-amine

Structural Information

Molecular Formula
C9H14N4O2
SMILES
C1CCC(CC1)N2C(=C(C=N2)[N+](=O)[O-])N
InChI
InChI=1S/C9H14N4O2/c10-9-8(13(14)15)6-11-12(9)7-4-2-1-3-5-7/h6-7H,1-5,10H2
InChIKey
XQICHMKXWYTWJC-UHFFFAOYSA-N
Compound name
1-cyclohexyl-4-nitropyrazol-5-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

210.11168 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 211.118956 143.9
[M+Na]+ 233.100898 148.9
[M-H]- 209.104404 147.3
[M+NH4]+ 228.145503 160.1
[M+K]+ 249.074838 142.6
[M+H-H2O]+ 193.108940 140.2
[M+HCOO]- 255.109881 165.3
[M+CH3COO]- 269.125531 181.0
[M+Na-2H]- 231.086346 149.0
[M]+ 210.11113142 136.4
[M]- 210.11222858 136.4
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

No patent data available for this compound.