CID 28065227

887405-27-8

Structural Information

Molecular Formula
C5H9N3O
SMILES
CC1=NN=C(O1)CNC
InChI
InChI=1S/C5H9N3O/c1-4-7-8-5(9-4)3-6-2/h6H,3H2,1-2H3
InChIKey
UBJBBIDQROEAMU-UHFFFAOYSA-N
Compound name
N-methyl-1-(5-methyl-1,3,4-oxadiazol-2-yl)methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

52
Patents

127.07456 Da
Monoisotopic Mass

-0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 128.081836 123.5
[M+Na]+ 150.063778 132.7
[M-H]- 126.067284 125.5
[M+NH4]+ 145.108383 143.5
[M+K]+ 166.037718 133.1
[M+H-H2O]+ 110.071820 116.6
[M+HCOO]- 172.072761 147.8
[M+CH3COO]- 186.088411 172.6
[M+Na-2H]- 148.049226 131.8
[M]+ 127.07401142 125.3
[M]- 127.07510858 125.3
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