CID 67519

1h-tetrazole

Structural Information

Molecular Formula
CH2N4
SMILES
C1=NNN=N1
InChI
InChI=1S/CH2N4/c1-2-4-5-3-1/h1H,(H,2,3,4,5)
InChIKey
KJUGUADJHNHALS-UHFFFAOYSA-N
Compound name
2H-tetrazole
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

7407
References

133368
Patents

70.02795 Da
Monoisotopic Mass

-0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 71.035226 108.2
[M+Na]+ 93.017168 117.6
[M-H]- 69.020674 105.1
[M+NH4]+ 88.061773 127.8
[M+K]+ 108.99111 117.0
[M+H-H2O]+ 53.025210 100.3
[M+HCOO]- 115.02615 129.1
[M+CH3COO]- 129.04180 122.0
[M+Na-2H]- 91.002616 118.1
[M]+ 70.027401 105.6
[M]- 70.028499 105.6
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