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]+ 252.170656 156.1
[M+Na]+ 274.152598 158.7
[M-H]- 250.156104 163.8
[M+NH4]+ 269.197203 170.5
[M+K]+ 290.126538 160.7
[M+H-H2O]+ 234.160640 146.5
[M+HCOO]- 296.161581 172.0
[M+CH3COO]- 310.177231 166.0
[M+Na-2H]- 272.138046 157.1
[M]+ 251.16283142 147.7
[M]- 251.16392858 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.