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

13
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 129.1
[M+Na]+ 176.04305 137.8
[M-H]- 152.04655 130.6
[M+NH4]+ 171.08765 148.6
[M+K]+ 192.01699 132.4
[M+H-H2O]+ 136.05109 126.9
[M+HCOO]- 198.05203 154.2
[M+CH3COO]- 212.06768 169.2
[M+Na-2H]- 174.02850 137.2
[M]+ 153.05328 127.9
[M]- 153.05438 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