CID 155802361

4,6-dihydroxy-1,7-dimethyl-4,5,6,7-tetrahydroindole-3-carbaldehyde

Structural Information

Molecular Formula
C11H15NO3
SMILES
CC1C(CC(C2=C1N(C=C2C=O)C)O)O
InChI
InChI=1S/C11H15NO3/c1-6-8(14)3-9(15)10-7(5-13)4-12(2)11(6)10/h4-6,8-9,14-15H,3H2,1-2H3
InChIKey
UOUNAWWCBHCAFG-UHFFFAOYSA-N
Compound name
4,6-dihydroxy-1,7-dimethyl-4,5,6,7-tetrahydroindole-3-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

209.1052 Da
Monoisotopic Mass

-0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 210.11248 145.2
[M+Na]+ 232.09442 154.9
[M-H]- 208.09792 146.5
[M+NH4]+ 227.13902 165.2
[M+K]+ 248.06836 151.4
[M+H-H2O]+ 192.10246 140.3
[M+HCOO]- 254.10340 163.2
[M+CH3COO]- 268.11905 184.3
[M+Na-2H]- 230.07987 146.8
[M]+ 209.10465 144.9
[M]- 209.10575 144.9
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.