CID 108388

59742-29-9

Structural Information

Molecular Formula
C14H22O
SMILES
CC1(CCCC2=C1CCC(C2)(C)C=O)C
InChI
InChI=1S/C14H22O/c1-13(2)7-4-5-11-9-14(3,10-15)8-6-12(11)13/h10H,4-9H2,1-3H3
InChIKey
VDQCJWKBSOEGMC-UHFFFAOYSA-N
Compound name
2,5,5-trimethyl-1,3,4,6,7,8-hexahydronaphthalene-2-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

206.16707 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 207.17435 149.7
[M+Na]+ 229.15629 161.6
[M+NH4]+ 224.20089 162.4
[M+K]+ 245.13023 150.1
[M-H]- 205.15979 152.9
[M+Na-2H]- 227.14174 157.2
[M]+ 206.16652 152.7
[M]- 206.16762 152.7
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

No patent data available for this compound.