CID 17604983

(5-ethyl-1,2,4-oxadiazol-3-yl)methanamine

Structural Information

Molecular Formula
C5H9N3O
SMILES
CCC1=NC(=NO1)CN
InChI
InChI=1S/C5H9N3O/c1-2-5-7-4(3-6)8-9-5/h2-3,6H2,1H3
InChIKey
SJRULIJIBRDNGB-UHFFFAOYSA-N
Compound name
(5-ethyl-1,2,4-oxadiazol-3-yl)methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

127.07456 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 128.081836 123.9
[M+Na]+ 150.063778 133.0
[M-H]- 126.067284 125.4
[M+NH4]+ 145.108383 143.5
[M+K]+ 166.037718 133.1
[M+H-H2O]+ 110.071820 117.0
[M+HCOO]- 172.072761 147.5
[M+CH3COO]- 186.088411 171.9
[M+Na-2H]- 148.049226 131.1
[M]+ 127.07401142 124.6
[M]- 127.07510858 124.6
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