CID 29893179

1082766-34-4

Structural Information

Molecular Formula
C6H11N3O
SMILES
CCNCC1=NC(=NO1)C
InChI
InChI=1S/C6H11N3O/c1-3-7-4-6-8-5(2)9-10-6/h7H,3-4H2,1-2H3
InChIKey
REYGCAPKUGCICS-UHFFFAOYSA-N
Compound name
N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]ethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

141.09021 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 142.09749 128.2
[M+Na]+ 164.07943 136.9
[M-H]- 140.08293 130.0
[M+NH4]+ 159.12403 147.6
[M+K]+ 180.05337 137.1
[M+H-H2O]+ 124.08747 121.1
[M+HCOO]- 186.08841 152.1
[M+CH3COO]- 200.10406 175.6
[M+Na-2H]- 162.06488 136.0
[M]+ 141.08966 130.3
[M]- 141.09076 130.3
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