CID 96942

Murrayanine

Structural Information

Molecular Formula

C₁₄H₁₁NO₂

SMILES

COC1=CC(=CC2=C1NC3=CC=CC=C32)C=O

InChI

InChI=1S/C14H11NO2/c1-17-13-7-9(8-16)6-11-10-4-2-3-5-12(10)15-14(11)13/h2-8,15H,1H3

InChIKey

FWNZQNAJETXQPP-UHFFFAOYSA-N

Compound name

1-methoxy-9H-carbazole-3-carbaldehyde

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 11
References: 64
Patents: 225.07898 Da
Monoisotopic Mass: 2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	226.086256	147.1
[M+Na]+	248.068198	158.7
[M-H]-	224.071704	151.0
[M+NH4]+	243.112803	167.8
[M+K]+	264.042138	153.4
[M+H-H2O]+	208.076240	140.7
[M+HCOO]-	270.077181	169.7
[M+CH3COO]-	284.092831	160.9
[M+Na-2H]-	246.053646	154.6
[M]+	225.07843142	150.5
[M]-	225.07952858	150.5

Literature stripe

literature stripe

Patent stripe

patents stripe