CID 212727

24796-53-0

Structural Information

Molecular Formula
C7H14N5O
SMILES
CN1CCN(CC1)[N+]2=NOC=C2N
InChI
InChI=1S/C7H14N5O/c1-10-2-4-11(5-3-10)12-7(8)6-13-9-12/h6H,2-5,8H2,1H3/q+1
InChIKey
GDJCDCIVFBJQSC-UHFFFAOYSA-N
Compound name
3-(4-methylpiperazin-1-yl)oxadiazol-3-ium-4-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

184.11984 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 185.127116 139.9
[M+Na]+ 207.109058 147.3
[M-H]- 183.112564 141.6
[M+NH4]+ 202.153663 153.8
[M+K]+ 223.082998 140.8
[M+H-H2O]+ 167.117100 133.1
[M+HCOO]- 229.118041 157.1
[M+CH3COO]- 243.133691 175.0
[M+Na-2H]- 205.094506 147.1
[M]+ 184.11929142 134.8
[M]- 184.12038858 134.8
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.