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]+ 180.14952 139.5
[M+Na]+ 202.13146 142.8
[M-H]- 178.13496 142.2
[M+NH4]+ 197.17606 155.8
[M+K]+ 218.10540 143.3
[M+H-H2O]+ 162.13950 130.6
[M+HCOO]- 224.14044 157.3
[M+CH3COO]- 238.15609 149.9
[M+Na-2H]- 200.11691 142.0
[M]+ 179.14169 128.8
[M]- 179.14279 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.