CID 482834

1-(2-hydroxyethoxymethyl)indole-3-carbaldehyde

Structural Information

Molecular Formula
C12H13NO3
SMILES
C1=CC=C2C(=C1)C(=CN2COCCO)C=O
InChI
InChI=1S/C12H13NO3/c14-5-6-16-9-13-7-10(8-15)11-3-1-2-4-12(11)13/h1-4,7-8,14H,5-6,9H2
InChIKey
UGMQHVBTTMOZRM-UHFFFAOYSA-N
Compound name
1-(2-hydroxyethoxymethyl)indole-3-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

219.08954 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 220.09682 145.6
[M+Na]+ 242.07876 155.6
[M-H]- 218.08226 148.1
[M+NH4]+ 237.12336 165.3
[M+K]+ 258.05270 152.2
[M+H-H2O]+ 202.08680 139.2
[M+HCOO]- 264.08774 169.3
[M+CH3COO]- 278.10339 185.0
[M+Na-2H]- 240.06421 152.1
[M]+ 219.08899 150.6
[M]- 219.09009 150.6
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

No patent data available for this compound.