CID 12859396

1,1-dimethylindan-5-carboxaldehyde

Structural Information

Molecular Formula
C12H14O
SMILES
CC1(CCC2=C1C=CC(=C2)C=O)C
InChI
InChI=1S/C12H14O/c1-12(2)6-5-10-7-9(8-13)3-4-11(10)12/h3-4,7-8H,5-6H2,1-2H3
InChIKey
HZDXYCHIJMRKPB-UHFFFAOYSA-N
Compound name
1,1-dimethyl-2,3-dihydroindene-5-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

34
Patents

174.10446 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 175.111736 136.5
[M+Na]+ 197.093678 146.3
[M-H]- 173.097184 141.7
[M+NH4]+ 192.138283 162.3
[M+K]+ 213.067618 143.1
[M+H-H2O]+ 157.101720 132.1
[M+HCOO]- 219.102661 159.9
[M+CH3COO]- 233.118311 181.1
[M+Na-2H]- 195.079126 142.7
[M]+ 174.10391142 137.4
[M]- 174.10500858 137.4
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