CID 205651

18430-29-0

Structural Information

Molecular Formula
C6H12N3O
SMILES
CCC(C)[N+]1=NOC(=C1)N
InChI
InChI=1S/C6H12N3O/c1-3-5(2)9-4-6(7)10-8-9/h4-5H,3,7H2,1-2H3/q+1
InChIKey
YPENFIANZQHSDW-UHFFFAOYSA-N
Compound name
3-butan-2-yloxadiazol-3-ium-5-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

142.09804 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 143.105316 128.3
[M+Na]+ 165.087258 136.7
[M-H]- 141.090764 130.1
[M+NH4]+ 160.131863 147.1
[M+K]+ 181.061198 131.6
[M+H-H2O]+ 125.095300 124.1
[M+HCOO]- 187.096241 150.4
[M+CH3COO]- 201.111891 169.0
[M+Na-2H]- 163.072706 136.5
[M]+ 142.09749142 127.4
[M]- 142.09858858 127.4
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