CID 59872479

2-(1-methyl-1h-1,2,4-triazol-3-yl)acetonitrile

Structural Information

Molecular Formula
C5H6N4
SMILES
CN1C=NC(=N1)CC#N
InChI
InChI=1S/C5H6N4/c1-9-4-7-5(8-9)2-3-6/h4H,2H2,1H3
InChIKey
FYSZHICVIHIJDF-UHFFFAOYSA-N
Compound name
2-(1-methyl-1,2,4-triazol-3-yl)acetonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

122.05925 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 123.06653 124.6
[M+Na]+ 145.04847 136.1
[M+NH4]+ 140.09307 128.7
[M+K]+ 161.02241 129.3
[M-H]- 121.05197 117.2
[M+Na-2H]- 143.03392 128.1
[M]+ 122.05870 123.1
[M]- 122.05980 123.1
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