CID 3159685

6-methoxy-2,3-dihydro-1h-indene-5-carbaldehyde

Structural Information

Molecular Formula
C11H12O2
SMILES
COC1=C(C=C2CCCC2=C1)C=O
InChI
InChI=1S/C11H12O2/c1-13-11-6-9-4-2-3-8(9)5-10(11)7-12/h5-7H,2-4H2,1H3
InChIKey
DWWCZKVBNWJJHC-UHFFFAOYSA-N
Compound name
6-methoxy-2,3-dihydro-1H-indene-5-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

233
Patents

176.08372 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 177.09100 135.6
[M+Na]+ 199.07294 144.7
[M-H]- 175.07644 140.5
[M+NH4]+ 194.11754 159.1
[M+K]+ 215.04688 142.3
[M+H-H2O]+ 159.08098 130.6
[M+HCOO]- 221.08192 159.5
[M+CH3COO]- 235.09757 180.5
[M+Na-2H]- 197.05839 141.2
[M]+ 176.08317 137.3
[M]- 176.08427 137.3
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

patents stripe