CID 65329407

[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]methanamine hydrochloride

Structural Information

Molecular Formula
C8H13N3O2
SMILES
C1COCCC1C2=NOC(=N2)CN
InChI
InChI=1S/C8H13N3O2/c9-5-7-10-8(11-13-7)6-1-3-12-4-2-6/h6H,1-5,9H2
InChIKey
PDXMSWZNWRVZIY-UHFFFAOYSA-N
Compound name
[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

183.10077 Da
Monoisotopic Mass

-0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 184.10805 139.0
[M+Na]+ 206.08999 145.1
[M-H]- 182.09349 143.2
[M+NH4]+ 201.13459 154.3
[M+K]+ 222.06393 145.6
[M+H-H2O]+ 166.09803 130.9
[M+HCOO]- 228.09897 158.0
[M+CH3COO]- 242.11462 151.2
[M+Na-2H]- 204.07544 144.5
[M]+ 183.10022 136.1
[M]- 183.10132 136.1
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.