CID 4962298

1-(cyclohexylmethyl)-1h-pyrazol-5-amine

Structural Information

Molecular Formula
C10H17N3
SMILES
C1CCC(CC1)CN2C(=CC=N2)N
InChI
InChI=1S/C10H17N3/c11-10-6-7-12-13(10)8-9-4-2-1-3-5-9/h6-7,9H,1-5,8,11H2
InChIKey
HQBNRQCHZMQTON-UHFFFAOYSA-N
Compound name
2-(cyclohexylmethyl)pyrazol-3-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

8
Patents

179.14224 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 180.149516 140.7
[M+Na]+ 202.131458 146.0
[M-H]- 178.134964 143.5
[M+NH4]+ 197.176063 159.0
[M+K]+ 218.105398 143.3
[M+H-H2O]+ 162.139500 132.3
[M+HCOO]- 224.140441 160.7
[M+CH3COO]- 238.156091 181.6
[M+Na-2H]- 200.116906 144.0
[M]+ 179.14169142 134.6
[M]- 179.14278858 134.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe