CID 115292521

2127055-54-1

Structural Information

Molecular Formula
C8H13N3O2
SMILES
CC1=NOC(=N1)C2(CCOCC2)N
InChI
InChI=1S/C8H13N3O2/c1-6-10-7(13-11-6)8(9)2-4-12-5-3-8/h2-5,9H2,1H3
InChIKey
NIJJMSACCJQVHY-UHFFFAOYSA-N
Compound name
4-(3-methyl-1,2,4-oxadiazol-5-yl)oxan-4-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

183.10077 Da
Monoisotopic Mass

-0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 184.10805 137.8
[M+Na]+ 206.08999 144.9
[M-H]- 182.09349 142.5
[M+NH4]+ 201.13459 155.2
[M+K]+ 222.06393 145.7
[M+H-H2O]+ 166.09803 130.4
[M+HCOO]- 228.09897 156.9
[M+CH3COO]- 242.11462 150.6
[M+Na-2H]- 204.07544 144.6
[M]+ 183.10022 135.3
[M]- 183.10132 135.3
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.