CID 155802243

4,6,7-trihydroxy-1,7-dimethyl-5,6-dihydro-4h-indole-3-carbaldehyde

Structural Information

Molecular Formula
C11H15NO4
SMILES
CC1(C(CC(C2=C1N(C=C2C=O)C)O)O)O
InChI
InChI=1S/C11H15NO4/c1-11(16)8(15)3-7(14)9-6(5-13)4-12(2)10(9)11/h4-5,7-8,14-16H,3H2,1-2H3
InChIKey
OGCFDZMKLHDQHP-UHFFFAOYSA-N
Compound name
4,6,7-trihydroxy-1,7-dimethyl-5,6-dihydro-4H-indole-3-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

225.10011 Da
Monoisotopic Mass

-1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 226.107386 147.4
[M+Na]+ 248.089328 157.6
[M-H]- 224.092834 147.6
[M+NH4]+ 243.133933 168.1
[M+K]+ 264.063268 154.0
[M+H-H2O]+ 208.097370 143.6
[M+HCOO]- 270.098311 164.1
[M+CH3COO]- 284.113961 183.7
[M+Na-2H]- 246.074776 150.2
[M]+ 225.09956142 147.2
[M]- 225.10065858 147.2
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

No patent data available for this compound.