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
2-cyclohexyl-4-nitropyrazol-3-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]+ 211.11896 143.9
[M+Na]+ 233.10090 148.9
[M-H]- 209.10440 147.3
[M+NH4]+ 228.14550 160.1
[M+K]+ 249.07484 142.6
[M+H-H2O]+ 193.10894 140.2
[M+HCOO]- 255.10988 165.3
[M+CH3COO]- 269.12553 181.0
[M+Na-2H]- 231.08635 149.0
[M]+ 210.11113 136.4
[M]- 210.11223 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.