CID 3981211

16077-09-1

Structural Information

Molecular Formula
C10H9NO3
SMILES
CN1C2=C(C=C(C=C2)OC)C(=O)C1=O
InChI
InChI=1S/C10H9NO3/c1-11-8-4-3-6(14-2)5-7(8)9(12)10(11)13/h3-5H,1-2H3
InChIKey
CZRPSRARMQINMA-UHFFFAOYSA-N
Compound name
5-methoxy-1-methylindole-2,3-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

53
Patents

191.05824 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 192.065516 136.1
[M+Na]+ 214.047458 147.6
[M-H]- 190.050964 140.5
[M+NH4]+ 209.092063 158.1
[M+K]+ 230.021398 145.3
[M+H-H2O]+ 174.055500 130.7
[M+HCOO]- 236.056441 159.3
[M+CH3COO]- 250.072091 183.8
[M+Na-2H]- 212.032906 141.0
[M]+ 191.05769142 139.6
[M]- 191.05878858 139.6
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