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]+ 128.081836 123.6
[M+Na]+ 150.063778 131.7
[M-H]- 126.067284 124.6
[M+NH4]+ 145.108383 142.9
[M+K]+ 166.037718 131.9
[M+H-H2O]+ 110.071820 116.3
[M+HCOO]- 172.072761 147.2
[M+CH3COO]- 186.088411 170.8
[M+Na-2H]- 148.049226 131.6
[M]+ 127.07401142 124.0
[M]- 127.07510858 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