CID 108388

2-naphthalenecarboxaldehyde, 1,2,3,4,5,6,7,8-octahydro-2,5,5-trimethyl-

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 147.5
[M+Na]+ 229.15629 154.3
[M-H]- 205.15979 151.6
[M+NH4]+ 224.20089 171.8
[M+K]+ 245.13023 151.6
[M+H-H2O]+ 189.16433 142.6
[M+HCOO]- 251.16527 164.9
[M+CH3COO]- 265.18092 188.0
[M+Na-2H]- 227.14174 153.1
[M]+ 206.16652 144.4
[M]- 206.16762 144.4
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

No patent data available for this compound.