CID 95598

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

Structural Information

Molecular Formula
C14H22O
SMILES
CC1(CCCC2=C1CC(CC2)(C)C=O)C
InChI
InChI=1S/C14H22O/c1-13(2)7-4-5-11-6-8-14(3,10-15)9-12(11)13/h10H,4-9H2,1-3H3
InChIKey
PCSOKTFMEGMRBK-UHFFFAOYSA-N
Compound name
2,8,8-trimethyl-1,3,4,5,6,7-hexahydronaphthalene-2-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

4
Patents

206.16707 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 207.174346 147.5
[M+Na]+ 229.156288 154.3
[M-H]- 205.159794 151.6
[M+NH4]+ 224.200893 171.8
[M+K]+ 245.130228 151.6
[M+H-H2O]+ 189.164330 142.6
[M+HCOO]- 251.165271 164.9
[M+CH3COO]- 265.180921 188.0
[M+Na-2H]- 227.141736 153.1
[M]+ 206.16652142 144.4
[M]- 206.16761858 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

patents stripe