CID 155802338

6-hydroxy-4-methoxy-1,7-dimethyl-4,5,6,7-tetrahydroindole-3-carbaldehyde

Structural Information

Molecular Formula
C12H17NO3
SMILES
CC1C(CC(C2=C1N(C=C2C=O)C)OC)O
InChI
InChI=1S/C12H17NO3/c1-7-9(15)4-10(16-3)11-8(6-14)5-13(2)12(7)11/h5-7,9-10,15H,4H2,1-3H3
InChIKey
TUIXQUPRFTWIPR-UHFFFAOYSA-N
Compound name
6-hydroxy-4-methoxy-1,7-dimethyl-4,5,6,7-tetrahydroindole-3-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

223.12085 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 224.12813 149.0
[M+Na]+ 246.11007 158.7
[M-H]- 222.11357 151.5
[M+NH4]+ 241.15467 169.2
[M+K]+ 262.08401 155.9
[M+H-H2O]+ 206.11811 143.7
[M+HCOO]- 268.11905 168.2
[M+CH3COO]- 282.13470 189.8
[M+Na-2H]- 244.09552 150.6
[M]+ 223.12030 150.9
[M]- 223.12140 150.9
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.