CID 19067937

3-cyclobutyl-1h-1,2,4-triazole

Structural Information

Molecular Formula
C6H9N3
SMILES
C1CC(C1)C2=NC=NN2
InChI
InChI=1S/C6H9N3/c1-2-5(3-1)6-7-4-8-9-6/h4-5H,1-3H2,(H,7,8,9)
InChIKey
GUXDCSDPNPVZOS-UHFFFAOYSA-N
Compound name
5-cyclobutyl-1H-1,2,4-triazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

46
Patents

123.07965 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 124.08693 120.7
[M+Na]+ 146.06887 127.3
[M-H]- 122.07237 121.8
[M+NH4]+ 141.11347 133.4
[M+K]+ 162.04281 128.3
[M+H-H2O]+ 106.07691 108.1
[M+HCOO]- 168.07785 139.9
[M+CH3COO]- 182.09350 170.1
[M+Na-2H]- 144.05432 127.2
[M]+ 123.07910 125.8
[M]- 123.08020 125.8
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

patents stripe