CID 61354135

1-[5-(cyclopentylmethyl)-1,2,4-oxadiazol-3-yl]cycloheptan-1-amine hydrochloride

Structural Information

Molecular Formula
C15H25N3O
SMILES
C1CCCC(CC1)(C2=NOC(=N2)CC3CCCC3)N
InChI
InChI=1S/C15H25N3O/c16-15(9-5-1-2-6-10-15)14-17-13(19-18-14)11-12-7-3-4-8-12/h12H,1-11,16H2
InChIKey
RQLDZHWDPFRKAY-UHFFFAOYSA-N
Compound name
1-[5-(cyclopentylmethyl)-1,2,4-oxadiazol-3-yl]cycloheptan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

263.19977 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 264.20705 162.3
[M+Na]+ 286.18899 164.1
[M-H]- 262.19249 169.2
[M+NH4]+ 281.23359 177.6
[M+K]+ 302.16293 164.4
[M+H-H2O]+ 246.19703 152.1
[M+HCOO]- 308.19797 178.4
[M+CH3COO]- 322.21362 171.4
[M+Na-2H]- 284.17444 161.7
[M]+ 263.19922 152.7
[M]- 263.20032 152.7
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.