CID 62907456

2230807-19-7

Structural Information

Molecular Formula
C8H13N3O2
SMILES
C1COCCC1C2=NC(=NO2)CN
InChI
InChI=1S/C8H13N3O2/c9-5-7-10-8(13-11-7)6-1-3-12-4-2-6/h6H,1-5,9H2
InChIKey
QAPMDBPDNSNKJM-UHFFFAOYSA-N
Compound name
[5-(oxan-4-yl)-1,2,4-oxadiazol-3-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]+ 184.108046 139.0
[M+Na]+ 206.089988 145.1
[M-H]- 182.093494 143.2
[M+NH4]+ 201.134593 154.3
[M+K]+ 222.063928 145.6
[M+H-H2O]+ 166.098030 130.9
[M+HCOO]- 228.098971 158.0
[M+CH3COO]- 242.114621 151.2
[M+Na-2H]- 204.075436 144.5
[M]+ 183.10022142 136.1
[M]- 183.10131858 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.