CID 88901858

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

Structural Information

Molecular Formula
C11H12O
SMILES
CC1(CCC2=CC=CC=C21)C=O
InChI
InChI=1S/C11H12O/c1-11(8-12)7-6-9-4-2-3-5-10(9)11/h2-5,8H,6-7H2,1H3
InChIKey
IZEBRYSUNDNECT-UHFFFAOYSA-N
Compound name
1-methyl-2,3-dihydroindene-1-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

160.08882 Da
Monoisotopic Mass

2.1
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

literature stripe

Patent stripe

patents stripe