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

2
Patents

153.05383 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 154.06111 128.8
[M+Na]+ 176.04305 140.7
[M+NH4]+ 171.08765 135.9
[M+K]+ 192.01699 139.8
[M-H]- 152.04655 129.8
[M+Na-2H]- 174.02850 133.9
[M]+ 153.05328 130.3
[M]- 153.05438 130.3
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