CID 20099212

1803593-96-5

Structural Information

Molecular Formula
C9H16N4O
SMILES
C1CCN(CC1)CC2=NOC(=N2)CN
InChI
InChI=1S/C9H16N4O/c10-6-9-11-8(12-14-9)7-13-4-2-1-3-5-13/h1-7,10H2
InChIKey
PXTOVWDYLGAQPH-UHFFFAOYSA-N
Compound name
[3-(piperidin-1-ylmethyl)-1,2,4-oxadiazol-5-yl]methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

196.13242 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 197.13970 144.1
[M+Na]+ 219.12164 149.8
[M-H]- 195.12514 146.2
[M+NH4]+ 214.16624 158.9
[M+K]+ 235.09558 148.6
[M+H-H2O]+ 179.12968 134.8
[M+HCOO]- 241.13062 162.3
[M+CH3COO]- 255.14627 183.5
[M+Na-2H]- 217.10709 148.4
[M]+ 196.13187 140.1
[M]- 196.13297 140.1
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

No patent data available for this compound.