CID 10847280

191846-76-1

Structural Information

Molecular Formula
C11H10N2O4
SMILES
CN1C=C(C2=C1C=CC(=C2[N+](=O)[O-])OC)C=O
InChI
InChI=1S/C11H10N2O4/c1-12-5-7(6-14)10-8(12)3-4-9(17-2)11(10)13(15)16/h3-6H,1-2H3
InChIKey
YDMDOIHSAYQATQ-UHFFFAOYSA-N
Compound name
5-methoxy-1-methyl-4-nitroindole-3-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

15
Patents

234.06406 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 235.071336 147.0
[M+Na]+ 257.053278 157.9
[M-H]- 233.056784 151.8
[M+NH4]+ 252.097883 166.2
[M+K]+ 273.027218 151.4
[M+H-H2O]+ 217.061320 145.4
[M+HCOO]- 279.062261 173.2
[M+CH3COO]- 293.077911 186.2
[M+Na-2H]- 255.038726 154.7
[M]+ 234.06351142 151.3
[M]- 234.06460858 151.3
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