CID 25219498

933683-06-8

Structural Information

Molecular Formula
C5H9N3O
SMILES
CC1=NOC(=N1)CNC
InChI
InChI=1S/C5H9N3O/c1-4-7-5(3-6-2)9-8-4/h6H,3H2,1-2H3
InChIKey
DXORLLLAUZFWFF-UHFFFAOYSA-N
Compound name
N-methyl-1-(3-methyl-1,2,4-oxadiazol-5-yl)methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

49
Patents

127.07456 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 128.08184 123.5
[M+Na]+ 150.06378 132.7
[M-H]- 126.06728 125.5
[M+NH4]+ 145.10838 143.5
[M+K]+ 166.03772 133.1
[M+H-H2O]+ 110.07182 116.6
[M+HCOO]- 172.07276 147.8
[M+CH3COO]- 186.08841 172.6
[M+Na-2H]- 148.04923 131.8
[M]+ 127.07401 125.3
[M]- 127.07511 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