CID 202263

Imidazole, 1-allyl-2-nitro-

Structural Information

Molecular Formula
C6H7N3O2
SMILES
C=CCN1C=CN=C1[N+](=O)[O-]
InChI
InChI=1S/C6H7N3O2/c1-2-4-8-5-3-7-6(8)9(10)11/h2-3,5H,1,4H2
InChIKey
RFDSGLYVMLQGTN-UHFFFAOYSA-N
Compound name
2-nitro-1-prop-2-enylimidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

14
Patents

153.05383 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 154.061106 129.1
[M+Na]+ 176.043048 137.8
[M-H]- 152.046554 130.6
[M+NH4]+ 171.087653 148.6
[M+K]+ 192.016988 132.4
[M+H-H2O]+ 136.051090 126.9
[M+HCOO]- 198.052031 154.2
[M+CH3COO]- 212.067681 169.2
[M+Na-2H]- 174.028496 137.2
[M]+ 153.05328142 127.9
[M]- 153.05437858 127.9
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