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

56
Patents

204.0535 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 205.06078 139.3
[M+Na]+ 227.04272 153.3
[M+NH4]+ 222.08732 147.2
[M+K]+ 243.01666 151.7
[M-H]- 203.04622 141.6
[M+Na-2H]- 225.02817 144.8
[M]+ 204.05295 141.7
[M]- 204.05405 141.7
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

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