CID 105644

5,6,7,8-tetrahydro-2-naphthaleneacetaldehyde

Structural Information

Molecular Formula
C12H14O
SMILES
C1CCC2=C(C1)C=CC(=C2)CC=O
InChI
InChI=1S/C12H14O/c13-8-7-10-5-6-11-3-1-2-4-12(11)9-10/h5-6,8-9H,1-4,7H2
InChIKey
FQLQZBMPYBYGRU-UHFFFAOYSA-N
Compound name
2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

15
Patents

174.10446 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 175.11174 136.2
[M+Na]+ 197.09368 143.0
[M-H]- 173.09718 140.2
[M+NH4]+ 192.13828 157.5
[M+K]+ 213.06762 139.9
[M+H-H2O]+ 157.10172 130.3
[M+HCOO]- 219.10266 157.3
[M+CH3COO]- 233.11831 180.8
[M+Na-2H]- 195.07913 143.5
[M]+ 174.10391 134.2
[M]- 174.10501 134.2
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