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

22
Patents

182.11676 Da
Monoisotopic Mass

-0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 183.12404 141.4
[M+Na]+ 205.10598 148.0
[M-H]- 181.10948 141.2
[M+NH4]+ 200.15058 155.2
[M+K]+ 221.07992 146.4
[M+H-H2O]+ 165.11402 131.9
[M+HCOO]- 227.11496 156.5
[M+CH3COO]- 241.13061 152.2
[M+Na-2H]- 203.09143 145.8
[M]+ 182.11621 137.3
[M]- 182.11731 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