CID 138107

5-methyl-2h-tetrazole

Structural Information

Molecular Formula
C2H4N4
SMILES
CC1=NNN=N1
InChI
InChI=1S/C2H4N4/c1-2-3-5-6-4-2/h1H3,(H,3,4,5,6)
InChIKey
XZGLNCKSNVGDNX-UHFFFAOYSA-N
Compound name
5-methyl-2H-tetrazole
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

8
References

15702
Patents

84.043594 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 85.050870 112.9
[M+Na]+ 107.032812 122.9
[M-H]- 83.036318 110.1
[M+NH4]+ 102.077417 132.4
[M+K]+ 123.006752 121.9
[M+H-H2O]+ 67.040854 105.2
[M+HCOO]- 129.041795 133.6
[M+CH3COO]- 143.057445 159.1
[M+Na-2H]- 105.018260 121.6
[M]+ 84.04304542 111.1
[M]- 84.04414258 111.1
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