CID 609359

2-methyl-5-nitro-1h-indole-3-carbaldehyde

Structural Information

Molecular Formula
C10H8N2O3
SMILES
CC1=C(C2=C(N1)C=CC(=C2)[N+](=O)[O-])C=O
InChI
InChI=1S/C10H8N2O3/c1-6-9(5-13)8-4-7(12(14)15)2-3-10(8)11-6/h2-5,11H,1H3
InChIKey
IKBFYOQMSYXGBI-UHFFFAOYSA-N
Compound name
2-methyl-5-nitro-1H-indole-3-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

66
Patents

204.0535 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 205.060776 139.3
[M+Na]+ 227.042718 149.6
[M-H]- 203.046224 142.6
[M+NH4]+ 222.087323 158.9
[M+K]+ 243.016658 141.9
[M+H-H2O]+ 187.050760 138.1
[M+HCOO]- 249.051701 164.4
[M+CH3COO]- 263.067351 177.2
[M+Na-2H]- 225.028166 147.7
[M]+ 204.05295142 139.8
[M]- 204.05404858 139.8
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