CID 28269126

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

Structural Information

Molecular Formula
C5H9N3O
SMILES
C1=NN=C(O1)CCCN
InChI
InChI=1S/C5H9N3O/c6-3-1-2-5-8-7-4-9-5/h4H,1-3,6H2
InChIKey
LAFKIILHZJVCFL-UHFFFAOYSA-N
Compound name
3-(1,3,4-oxadiazol-2-yl)propan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

127.07456 Da
Monoisotopic Mass

-0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 128.08184 123.6
[M+Na]+ 150.06378 131.7
[M-H]- 126.06728 124.6
[M+NH4]+ 145.10838 142.9
[M+K]+ 166.03772 131.9
[M+H-H2O]+ 110.07182 116.3
[M+HCOO]- 172.07276 147.2
[M+CH3COO]- 186.08841 170.8
[M+Na-2H]- 148.04923 131.6
[M]+ 127.07401 124.0
[M]- 127.07511 124.0
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

patents stripe