CID 65329408

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

Structural Information

Molecular Formula
C9H15N3O2
SMILES
C1COCCC1C2=NOC(=N2)CCN
InChI
InChI=1S/C9H15N3O2/c10-4-1-8-11-9(12-14-8)7-2-5-13-6-3-7/h7H,1-6,10H2
InChIKey
GYCAZDDBTSTSHJ-UHFFFAOYSA-N
Compound name
2-[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]ethanamine
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 143.5
[M+Na]+ 220.105638 149.3
[M-H]- 196.109144 147.6
[M+NH4]+ 215.150243 158.3
[M+K]+ 236.079578 149.5
[M+H-H2O]+ 180.113680 135.2
[M+HCOO]- 242.114621 162.3
[M+CH3COO]- 256.130271 182.9
[M+Na-2H]- 218.091086 148.6
[M]+ 197.11587142 141.1
[M]- 197.11696858 141.1
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.