CID 61354128

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

Structural Information

Molecular Formula
C13H21N3O2
SMILES
C1CCCC(CC1)(C2=NOC(=N2)C3CCOC3)N
InChI
InChI=1S/C13H21N3O2/c14-13(6-3-1-2-4-7-13)12-15-11(18-16-12)10-5-8-17-9-10/h10H,1-9,14H2
InChIKey
SFWQRGAGLVXBBP-UHFFFAOYSA-N
Compound name
1-[5-(oxolan-3-yl)-1,2,4-oxadiazol-3-yl]cycloheptan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

251.16338 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 252.17066 162.4
[M+Na]+ 274.15260 169.1
[M+NH4]+ 269.19720 170.1
[M+K]+ 290.12654 167.7
[M-H]- 250.15610 167.6
[M+Na-2H]- 272.13805 167.3
[M]+ 251.16283 164.7
[M]- 251.16393 164.7
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.