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]+ 197.139696 144.1
[M+Na]+ 219.121638 149.8
[M-H]- 195.125144 146.2
[M+NH4]+ 214.166243 158.9
[M+K]+ 235.095578 148.6
[M+H-H2O]+ 179.129680 134.8
[M+HCOO]- 241.130621 162.3
[M+CH3COO]- 255.146271 183.5
[M+Na-2H]- 217.107086 148.4
[M]+ 196.13187142 140.1
[M]- 196.13296858 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.