CID 2760580

5,6,7,8-tetrahydronaphthalene-2-carbaldehyde

Structural Information

Molecular Formula
C11H12O
SMILES
C1CCC2=C(C1)C=CC(=C2)C=O
InChI
InChI=1S/C11H12O/c12-8-9-5-6-10-3-1-2-4-11(10)7-9/h5-8H,1-4H2
InChIKey
NYNSNUNMTUNAEO-UHFFFAOYSA-N
Compound name
5,6,7,8-tetrahydronaphthalene-2-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

293
Patents

160.08882 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 161.09610 131.5
[M+Na]+ 183.07804 138.7
[M-H]- 159.08154 135.7
[M+NH4]+ 178.12264 153.4
[M+K]+ 199.05198 135.9
[M+H-H2O]+ 143.08608 125.8
[M+HCOO]- 205.08702 152.9
[M+CH3COO]- 219.10267 177.8
[M+Na-2H]- 181.06349 139.3
[M]+ 160.08827 129.1
[M]- 160.08937 129.1
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