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]+ 143.10532 128.3
[M+Na]+ 165.08726 136.7
[M-H]- 141.09076 130.1
[M+NH4]+ 160.13186 147.1
[M+K]+ 181.06120 131.6
[M+H-H2O]+ 125.09530 124.1
[M+HCOO]- 187.09624 150.4
[M+CH3COO]- 201.11189 169.0
[M+Na-2H]- 163.07271 136.5
[M]+ 142.09749 127.4
[M]- 142.09859 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