CID 43235663

1172924-80-9

Structural Information

Molecular Formula
C10H18N4O
SMILES
CC(C)C1=NOC(=N1)CN2CCNCC2
InChI
InChI=1S/C10H18N4O/c1-8(2)10-12-9(15-13-10)7-14-5-3-11-4-6-14/h8,11H,3-7H2,1-2H3
InChIKey
DJYZSNKLDXAWIV-UHFFFAOYSA-N
Compound name
5-(piperazin-1-ylmethyl)-3-propan-2-yl-1,2,4-oxadiazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

210.14806 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 211.15534 150.6
[M+Na]+ 233.13728 156.1
[M-H]- 209.14078 150.3
[M+NH4]+ 228.18188 163.2
[M+K]+ 249.11122 154.4
[M+H-H2O]+ 193.14532 140.9
[M+HCOO]- 255.14626 164.1
[M+CH3COO]- 269.16191 183.6
[M+Na-2H]- 231.12273 152.8
[M]+ 210.14751 146.6
[M]- 210.14861 146.6
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.