CID 61354132

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

Structural Information

Molecular Formula
C13H21N3O2
SMILES
C1CCCC(CC1)(C2=NOC(=N2)C3CCCO3)N
InChI
InChI=1S/C13H21N3O2/c14-13(7-3-1-2-4-8-13)12-15-11(18-16-12)10-6-5-9-17-10/h10H,1-9,14H2
InChIKey
PIVNEGRYRHHMQR-UHFFFAOYSA-N
Compound name
1-[5-(oxolan-2-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

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 252.17066 156.1
[M+Na]+ 274.15260 158.7
[M-H]- 250.15610 163.8
[M+NH4]+ 269.19720 170.5
[M+K]+ 290.12654 160.7
[M+H-H2O]+ 234.16064 146.5
[M+HCOO]- 296.16158 172.0
[M+CH3COO]- 310.17723 166.0
[M+Na-2H]- 272.13805 157.1
[M]+ 251.16283 147.7
[M]- 251.16393 147.7
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.