CID 112814

5-methyl-2-nitro-1-vinyl-1h-imidazole

Structural Information

Molecular Formula
C6H7N3O2
SMILES
CC1=CN=C(N1C=C)[N+](=O)[O-]
InChI
InChI=1S/C6H7N3O2/c1-3-8-5(2)4-7-6(8)9(10)11/h3-4H,1H2,2H3
InChIKey
UCRJJHVREFVPPM-UHFFFAOYSA-N
Compound name
1-ethenyl-5-methyl-2-nitroimidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

1
Patents

153.05383 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 154.06111 128.6
[M+Na]+ 176.04305 138.2
[M-H]- 152.04655 130.5
[M+NH4]+ 171.08765 148.4
[M+K]+ 192.01699 132.8
[M+H-H2O]+ 136.05109 126.8
[M+HCOO]- 198.05203 153.7
[M+CH3COO]- 212.06768 170.3
[M+Na-2H]- 174.02850 136.1
[M]+ 153.05328 127.8
[M]- 153.05438 127.8
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