CID 111547

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

Structural Information

Molecular Formula
C13H16O
SMILES
CC1(CCCC2=C1C=C(C=C2)C=O)C
InChI
InChI=1S/C13H16O/c1-13(2)7-3-4-11-6-5-10(9-14)8-12(11)13/h5-6,8-9H,3-4,7H2,1-2H3
InChIKey
HJLINOOPKOQYJI-UHFFFAOYSA-N
Compound name
8,8-dimethyl-6,7-dihydro-5H-naphthalene-2-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

87
Patents

188.12012 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 189.12740 141.8
[M+Na]+ 211.10934 155.8
[M+NH4]+ 206.15394 153.4
[M+K]+ 227.08328 145.7
[M-H]- 187.11284 145.5
[M+Na-2H]- 209.09479 150.0
[M]+ 188.11957 145.2
[M]- 188.12067 145.2
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