CID 114690178

5-ethynyl-1-methyl-1h-1,2,3-triazole

Structural Information

Molecular Formula
C5H5N3
SMILES
CN1C(=CN=N1)C#C
InChI
InChI=1S/C5H5N3/c1-3-5-4-6-7-8(5)2/h1,4H,2H3
InChIKey
AHIZHCUVDSNHBT-UHFFFAOYSA-N
Compound name
5-ethynyl-1-methyltriazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

16
Patents

107.04835 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 108.05563 115.1
[M+Na]+ 130.03757 126.5
[M-H]- 106.04107 113.0
[M+NH4]+ 125.08217 133.2
[M+K]+ 146.01151 124.6
[M+H-H2O]+ 90.045610 101.1
[M+HCOO]- 152.04655 131.6
[M+CH3COO]- 166.06220 176.9
[M+Na-2H]- 128.02302 121.2
[M]+ 107.04780 109.7
[M]- 107.04890 109.7
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