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]+ 264.207046 162.3
[M+Na]+ 286.188988 164.1
[M-H]- 262.192494 169.2
[M+NH4]+ 281.233593 177.6
[M+K]+ 302.162928 164.4
[M+H-H2O]+ 246.197030 152.1
[M+HCOO]- 308.197971 178.4
[M+CH3COO]- 322.213621 171.4
[M+Na-2H]- 284.174436 161.7
[M]+ 263.19922142 152.7
[M]- 263.20031858 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.