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]+ 185.12712 139.9
[M+Na]+ 207.10906 147.3
[M-H]- 183.11256 141.6
[M+NH4]+ 202.15366 153.8
[M+K]+ 223.08300 140.8
[M+H-H2O]+ 167.11710 133.1
[M+HCOO]- 229.11804 157.1
[M+CH3COO]- 243.13369 175.0
[M+Na-2H]- 205.09451 147.1
[M]+ 184.11929 134.8
[M]- 184.12039 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.