CID 82411299

1780262-03-4

Structural Information

Molecular Formula
C10H9NO2
SMILES
CN1C(=O)CC2=C1C=C(C=C2)C=O
InChI
InChI=1S/C10H9NO2/c1-11-9-4-7(6-12)2-3-8(9)5-10(11)13/h2-4,6H,5H2,1H3
InChIKey
AHEHKXZRJMHTCY-UHFFFAOYSA-N
Compound name
1-methyl-2-oxo-3H-indole-6-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

175.06332 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 176.070596 133.7
[M+Na]+ 198.052538 144.4
[M-H]- 174.056044 137.7
[M+NH4]+ 193.097143 156.1
[M+K]+ 214.026478 141.6
[M+H-H2O]+ 158.060580 128.2
[M+HCOO]- 220.061521 156.8
[M+CH3COO]- 234.077171 180.4
[M+Na-2H]- 196.037986 139.1
[M]+ 175.06277142 135.3
[M]- 175.06386858 135.3
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