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]+ 198.12370 143.5
[M+Na]+ 220.10564 149.3
[M-H]- 196.10914 147.6
[M+NH4]+ 215.15024 158.3
[M+K]+ 236.07958 149.5
[M+H-H2O]+ 180.11368 135.2
[M+HCOO]- 242.11462 162.3
[M+CH3COO]- 256.13027 182.9
[M+Na-2H]- 218.09109 148.6
[M]+ 197.11587 141.1
[M]- 197.11697 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.