CID 53870217

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

Structural Information

Molecular Formula
C6H11N3
SMILES
CCCN1C=NN=C1C
InChI
InChI=1S/C6H11N3/c1-3-4-9-5-7-8-6(9)2/h5H,3-4H2,1-2H3
InChIKey
MIELZMJNYYRADO-UHFFFAOYSA-N
Compound name
3-methyl-4-propyl-1,2,4-triazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

125.0953 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 126.10258 125.7
[M+Na]+ 148.08452 137.9
[M+NH4]+ 143.12912 133.6
[M+K]+ 164.05846 133.7
[M-H]- 124.08802 125.7
[M+Na-2H]- 146.06997 131.7
[M]+ 125.09475 127.3
[M]- 125.09585 127.3
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