CID 20655904

1384662-01-4

Structural Information

Molecular Formula
C5H9N3O
SMILES
CC1=NN=C(O1)C(C)N
InChI
InChI=1S/C5H9N3O/c1-3(6)5-8-7-4(2)9-5/h3H,6H2,1-2H3
InChIKey
BOIJSRQQRMVLPC-UHFFFAOYSA-N
Compound name
1-(5-methyl-1,3,4-oxadiazol-2-yl)ethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

43
Patents

127.07456 Da
Monoisotopic Mass

-0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 128.08184 124.7
[M+Na]+ 150.06378 133.6
[M-H]- 126.06728 126.4
[M+NH4]+ 145.10838 144.3
[M+K]+ 166.03772 134.1
[M+H-H2O]+ 110.07182 117.9
[M+HCOO]- 172.07276 147.4
[M+CH3COO]- 186.08841 172.8
[M+Na-2H]- 148.04923 130.7
[M]+ 127.07401 124.8
[M]- 127.07511 124.8
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