CID 3059782

77234-81-2

Structural Information

Molecular Formula
C11H11N3O3
SMILES
C1=CC(=CC=C1C(CN2C=CN=C2)O)[N+](=O)[O-]
InChI
InChI=1S/C11H11N3O3/c15-11(7-13-6-5-12-8-13)9-1-3-10(4-2-9)14(16)17/h1-6,8,11,15H,7H2
InChIKey
NCSHDJZAOSCRPM-UHFFFAOYSA-N
Compound name
2-imidazol-1-yl-1-(4-nitrophenyl)ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

9
Patents

233.08005 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 234.08733 148.5
[M+Na]+ 256.06927 154.7
[M-H]- 232.07277 151.7
[M+NH4]+ 251.11387 163.4
[M+K]+ 272.04321 148.0
[M+H-H2O]+ 216.07731 144.8
[M+HCOO]- 278.07825 170.9
[M+CH3COO]- 292.09390 180.9
[M+Na-2H]- 254.05472 155.1
[M]+ 233.07950 146.2
[M]- 233.08060 146.2
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