CID 46318327

3-cyclopropyl-4-methyl-4h-1,2,4-triazole

Structural Information

Molecular Formula
C6H9N3
SMILES
CN1C=NN=C1C2CC2
InChI
InChI=1S/C6H9N3/c1-9-4-7-8-6(9)5-2-3-5/h4-5H,2-3H2,1H3
InChIKey
CKCJRMRHECHTNX-UHFFFAOYSA-N
Compound name
3-cyclopropyl-4-methyl-1,2,4-triazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

16
Patents

123.07965 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 124.08693 132.1
[M+Na]+ 146.06887 143.7
[M-H]- 122.07237 136.0
[M+NH4]+ 141.11347 147.5
[M+K]+ 162.04281 140.7
[M+H-H2O]+ 106.07691 123.8
[M+HCOO]- 168.07785 154.8
[M+CH3COO]- 182.09350 145.7
[M+Na-2H]- 144.05432 138.1
[M]+ 123.07910 134.3
[M]- 123.08020 134.3
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