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]+ 226.10739 147.4
[M+Na]+ 248.08933 157.6
[M-H]- 224.09283 147.6
[M+NH4]+ 243.13393 168.1
[M+K]+ 264.06327 154.0
[M+H-H2O]+ 208.09737 143.6
[M+HCOO]- 270.09831 164.1
[M+CH3COO]- 284.11396 183.7
[M+Na-2H]- 246.07478 150.2
[M]+ 225.09956 147.2
[M]- 225.10066 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.