CID 115292520

2241130-29-8

Structural Information

Molecular Formula
C9H15N3O2
SMILES
CCC1=NOC(=N1)C2(CCOCC2)N
InChI
InChI=1S/C9H15N3O2/c1-2-7-11-8(14-12-7)9(10)3-5-13-6-4-9/h2-6,10H2,1H3
InChIKey
MGJIHRHCWNHTCE-UHFFFAOYSA-N
Compound name
4-(3-ethyl-1,2,4-oxadiazol-5-yl)oxan-4-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

197.11642 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 198.123696 142.3
[M+Na]+ 220.105638 149.0
[M-H]- 196.109144 146.8
[M+NH4]+ 215.150243 159.2
[M+K]+ 236.079578 149.6
[M+H-H2O]+ 180.113680 134.7
[M+HCOO]- 242.114621 161.1
[M+CH3COO]- 256.130271 182.5
[M+Na-2H]- 218.091086 148.6
[M]+ 197.11587142 140.2
[M]- 197.11696858 140.2
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.