CID 6483748

878617-56-2

Structural Information

Molecular Formula
C8H14N4O
SMILES
CC1=NON=C1CN2CCNCC2
InChI
InChI=1S/C8H14N4O/c1-7-8(11-13-10-7)6-12-4-2-9-3-5-12/h9H,2-6H2,1H3
InChIKey
IADZORFSCHBHIT-UHFFFAOYSA-N
Compound name
3-methyl-4-(piperazin-1-ylmethyl)-1,2,5-oxadiazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

18
Patents

182.11676 Da
Monoisotopic Mass

-0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 183.124036 141.4
[M+Na]+ 205.105978 148.0
[M-H]- 181.109484 141.2
[M+NH4]+ 200.150583 155.2
[M+K]+ 221.079918 146.4
[M+H-H2O]+ 165.114020 131.9
[M+HCOO]- 227.114961 156.5
[M+CH3COO]- 241.130611 152.2
[M+Na-2H]- 203.091426 145.8
[M]+ 182.11621142 137.3
[M]- 182.11730858 137.3
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