CID 226698

3,5,5,8,8-pentamethyl-5,6,7,8-tetrahydro-2-naphthalenecarboxaldehyde

Structural Information

Molecular Formula
C16H22O
SMILES
CC1=CC2=C(C=C1C=O)C(CCC2(C)C)(C)C
InChI
InChI=1S/C16H22O/c1-11-8-13-14(9-12(11)10-17)16(4,5)7-6-15(13,2)3/h8-10H,6-7H2,1-5H3
InChIKey
JEJZFUVABODMHT-UHFFFAOYSA-N
Compound name
3,5,5,8,8-pentamethyl-6,7-dihydronaphthalene-2-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

59
Patents

230.16707 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 231.17435 150.1
[M+Na]+ 253.15629 159.9
[M-H]- 229.15979 155.3
[M+NH4]+ 248.20089 174.3
[M+K]+ 269.13023 156.5
[M+H-H2O]+ 213.16433 145.4
[M+HCOO]- 275.16527 169.8
[M+CH3COO]- 289.18092 195.6
[M+Na-2H]- 251.14174 155.6
[M]+ 230.16652 151.4
[M]- 230.16762 151.4
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