CID 140123

16681-77-9

Structural Information

Molecular Formula
C2H4N4
SMILES
CN1C=NN=N1
InChI
InChI=1S/C2H4N4/c1-6-2-3-4-5-6/h2H,1H3
InChIKey
OMAFFHIGWTVZOH-UHFFFAOYSA-N
Compound name
1-methyltetrazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

8558
Patents

84.043594 Da
Monoisotopic Mass

-0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 85.050870 111.8
[M+Na]+ 107.03281 122.2
[M-H]- 83.036318 110.4
[M+NH4]+ 102.07742 132.0
[M+K]+ 123.00675 122.2
[M+H-H2O]+ 67.040854 103.9
[M+HCOO]- 129.04180 134.0
[M+CH3COO]- 143.05744 161.9
[M+Na-2H]- 105.01826 121.0
[M]+ 84.043045 111.9
[M]- 84.044143 111.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe