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]+ 161.09610 132.9
[M+Na]+ 183.07804 142.2
[M-H]- 159.08154 137.9
[M+NH4]+ 178.12264 158.9
[M+K]+ 199.05198 139.3
[M+H-H2O]+ 143.08608 128.3
[M+HCOO]- 205.08702 156.6
[M+CH3COO]- 219.10267 176.9
[M+Na-2H]- 181.06349 140.2
[M]+ 160.08827 133.1
[M]- 160.08937 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