CID 22951495

7-methyl-2,3-dihydro-1h-indene-4-carbaldehyde

Structural Information

Molecular Formula

C₁₁H₁₂O

SMILES

CC1=C2CCCC2=C(C=C1)C=O

InChI

InChI=1S/C11H12O/c1-8-5-6-9(7-12)11-4-2-3-10(8)11/h5-7H,2-4H2,1H3

InChIKey

SRAOJVZUJSEHQP-UHFFFAOYSA-N

Compound name

7-methyl-2,3-dihydro-1H-indene-4-carbaldehyde

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 160.08882 Da
Monoisotopic Mass: 2.6
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]+	161.09610	132.4
[M+Na]+	183.07804	141.5
[M-H]-	159.08154	137.3
[M+NH4]+	178.12264	156.6
[M+K]+	199.05198	138.6
[M+H-H2O]+	143.08608	127.5
[M+HCOO]-	205.08702	156.0
[M+CH3COO]-	219.10267	178.5
[M+Na-2H]-	181.06349	137.9
[M]+	160.08827	132.6
[M]-	160.08937	132.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe