CID 86227267

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

Structural Information

Molecular Formula
C11H12O
SMILES
CC1(CC2=CC=CC=C2C1)C=O
InChI
InChI=1S/C11H12O/c1-11(8-12)6-9-4-2-3-5-10(9)7-11/h2-5,8H,6-7H2,1H3
InChIKey
YYEIMUXAHNWDEA-UHFFFAOYSA-N
Compound name
2-methyl-1,3-dihydroindene-2-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

160.08882 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 161.096096 132.9
[M+Na]+ 183.078038 142.2
[M-H]- 159.081544 137.9
[M+NH4]+ 178.122643 158.9
[M+K]+ 199.051978 139.3
[M+H-H2O]+ 143.086080 128.3
[M+HCOO]- 205.087021 156.6
[M+CH3COO]- 219.102671 176.9
[M+Na-2H]- 181.063486 140.2
[M]+ 160.08827142 133.1
[M]- 160.08936858 133.1
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