CID 3048690

63927-84-4

Structural Information

Molecular Formula
C5H6N6
SMILES
C1=CN=C(N1)CC2=NNN=N2
InChI
InChI=1S/C5H6N6/c1-2-7-4(6-1)3-5-8-10-11-9-5/h1-2H,3H2,(H,6,7)(H,8,9,10,11)
InChIKey
PSQYDSJYOAXUHY-UHFFFAOYSA-N
Compound name
5-(1H-imidazol-2-ylmethyl)-2H-tetrazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

150.0654 Da
Monoisotopic Mass

-0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 151.07268 127.7
[M+Na]+ 173.05462 138.2
[M-H]- 149.05812 124.9
[M+NH4]+ 168.09922 142.5
[M+K]+ 189.02856 134.6
[M+H-H2O]+ 133.06266 117.7
[M+HCOO]- 195.06360 146.8
[M+CH3COO]- 209.07925 139.8
[M+Na-2H]- 171.04007 134.5
[M]+ 150.06485 126.0
[M]- 150.06595 126.0
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