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]+ 184.108046 137.8
[M+Na]+ 206.089988 144.9
[M-H]- 182.093494 142.5
[M+NH4]+ 201.134593 155.2
[M+K]+ 222.063928 145.7
[M+H-H2O]+ 166.098030 130.4
[M+HCOO]- 228.098971 156.9
[M+CH3COO]- 242.114621 150.6
[M+Na-2H]- 204.075436 144.6
[M]+ 183.10022142 135.3
[M]- 183.10131858 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.