CID 9991017

2-methyl-5-nitro-1-(2-pyrrol-1-ylethyl)imidazole

Structural Information

Molecular Formula
C10H12N4O2
SMILES
CC1=NC=C(N1CCN2C=CC=C2)[N+](=O)[O-]
InChI
InChI=1S/C10H12N4O2/c1-9-11-8-10(14(15)16)13(9)7-6-12-4-2-3-5-12/h2-5,8H,6-7H2,1H3
InChIKey
NLLHTCWUGFMTIP-UHFFFAOYSA-N
Compound name
2-methyl-5-nitro-1-(2-pyrrol-1-ylethyl)imidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

220.09602 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 221.10330 146.2
[M+Na]+ 243.08524 155.4
[M-H]- 219.08874 150.4
[M+NH4]+ 238.12984 163.4
[M+K]+ 259.05918 149.0
[M+H-H2O]+ 203.09328 142.1
[M+HCOO]- 265.09422 172.0
[M+CH3COO]- 279.10987 182.1
[M+Na-2H]- 241.07069 152.7
[M]+ 220.09547 147.5
[M]- 220.09657 147.5
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

No patent data available for this compound.