CID 54594329

5-cycloheptyl-1h-pyrazol-3-amine

Structural Information

Molecular Formula
C10H17N3
SMILES
C1CCCC(CC1)C2=CC(=NN2)N
InChI
InChI=1S/C10H17N3/c11-10-7-9(12-13-10)8-5-3-1-2-4-6-8/h7-8H,1-6H2,(H3,11,12,13)
InChIKey
YWEFAASSEQSXKX-UHFFFAOYSA-N
Compound name
5-cycloheptyl-1H-pyrazol-3-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

179.14224 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 180.149516 139.5
[M+Na]+ 202.131458 142.8
[M-H]- 178.134964 142.2
[M+NH4]+ 197.176063 155.8
[M+K]+ 218.105398 143.3
[M+H-H2O]+ 162.139500 130.6
[M+HCOO]- 224.140441 157.3
[M+CH3COO]- 238.156091 149.9
[M+Na-2H]- 200.116906 142.0
[M]+ 179.14169142 128.8
[M]- 179.14278858 128.8
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.