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

37
Patents

174.10446 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 175.11174 136.5
[M+Na]+ 197.09368 146.3
[M-H]- 173.09718 141.7
[M+NH4]+ 192.13828 162.3
[M+K]+ 213.06762 143.1
[M+H-H2O]+ 157.10172 132.1
[M+HCOO]- 219.10266 159.9
[M+CH3COO]- 233.11831 181.1
[M+Na-2H]- 195.07913 142.7
[M]+ 174.10391 137.4
[M]- 174.10501 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