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]+ 124.086926 132.1
[M+Na]+ 146.068868 143.7
[M-H]- 122.072374 136.0
[M+NH4]+ 141.113473 147.5
[M+K]+ 162.042808 140.7
[M+H-H2O]+ 106.076910 123.8
[M+HCOO]- 168.077851 154.8
[M+CH3COO]- 182.093501 145.7
[M+Na-2H]- 144.054316 138.1
[M]+ 123.07910142 134.3
[M]- 123.08019858 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