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

literature stripe

Patent stripe

patents stripe