CID 62652795

2-(1,2,4-oxadiazol-3-yl)propan-1-amine hydrochloride

Structural Information

Molecular Formula
C5H9N3O
SMILES
CC(CN)C1=NOC=N1
InChI
InChI=1S/C5H9N3O/c1-4(2-6)5-7-3-9-8-5/h3-4H,2,6H2,1H3
InChIKey
XZGLAEUHRHZJNH-UHFFFAOYSA-N
Compound name
2-(1,2,4-oxadiazol-3-yl)propan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

127.07456 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 128.08184 124.6
[M+Na]+ 150.06378 132.5
[M-H]- 126.06728 125.8
[M+NH4]+ 145.10838 143.9
[M+K]+ 166.03772 133.1
[M+H-H2O]+ 110.07182 117.4
[M+HCOO]- 172.07276 147.3
[M+CH3COO]- 186.08841 171.6
[M+Na-2H]- 148.04923 131.3
[M]+ 127.07401 124.4
[M]- 127.07511 124.4
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.