CID 111547

L8o74vdc2e

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
1
Annotation Hits

0
References

119
Patents

188.12012 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 189.127396 140.4
[M+Na]+ 211.109338 148.7
[M-H]- 187.112844 145.1
[M+NH4]+ 206.153943 163.6
[M+K]+ 227.083278 145.6
[M+H-H2O]+ 171.117380 135.1
[M+HCOO]- 233.118321 161.2
[M+CH3COO]- 247.133971 184.5
[M+Na-2H]- 209.094786 147.5
[M]+ 188.11957142 139.4
[M]- 188.12066858 139.4
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