CID 14265119

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

Structural Information

Molecular Formula
C12H14O2
SMILES
CC1(CCC2=C1C=CC(=C2)OC)C=O
InChI
InChI=1S/C12H14O2/c1-12(8-13)6-5-9-7-10(14-2)3-4-11(9)12/h3-4,7-8H,5-6H2,1-2H3
InChIKey
RNUJGFSXJBLAPR-UHFFFAOYSA-N
Compound name
5-methoxy-1-methyl-2,3-dihydroindene-1-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

190.09938 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 191.106656 139.9
[M+Na]+ 213.088598 149.5
[M-H]- 189.092104 145.0
[M+NH4]+ 208.133203 164.9
[M+K]+ 229.062538 146.9
[M+H-H2O]+ 173.096640 135.3
[M+HCOO]- 235.097581 163.4
[M+CH3COO]- 249.113231 183.1
[M+Na-2H]- 211.074046 146.1
[M]+ 190.09883142 142.3
[M]- 190.09992858 142.3
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

No patent data available for this compound.