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

9
Patents

150.0654 Da
Monoisotopic Mass

-0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 151.072676 127.7
[M+Na]+ 173.054618 138.2
[M-H]- 149.058124 124.9
[M+NH4]+ 168.099223 142.5
[M+K]+ 189.028558 134.6
[M+H-H2O]+ 133.062660 117.7
[M+HCOO]- 195.063601 146.8
[M+CH3COO]- 209.079251 139.8
[M+Na-2H]- 171.040066 134.5
[M]+ 150.06485142 126.0
[M]- 150.06594858 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