CID 146166762

2839156-52-2

Structural Information

Molecular Formula
C5H6N4
SMILES
C1=C(NC=N1)CC2N=N2
InChI
InChI=1S/C5H6N4/c1(5-8-9-5)4-2-6-3-7-4/h2-3,5H,1H2,(H,6,7)
InChIKey
QOAXQDMSLATPAN-UHFFFAOYSA-N
Compound name
5-(3H-diazirin-3-ylmethyl)-1H-imidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

122.05925 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 123.06653 133.1
[M+Na]+ 145.04847 144.8
[M-H]- 121.05197 134.3
[M+NH4]+ 140.09307 146.2
[M+K]+ 161.02241 140.5
[M+H-H2O]+ 105.05651 124.2
[M+HCOO]- 167.05745 154.8
[M+CH3COO]- 181.07310 145.7
[M+Na-2H]- 143.03392 140.5
[M]+ 122.05870 134.5
[M]- 122.05980 134.5
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

No patent data available for this compound.