CID 89241

19889-13-5

Structural Information

Molecular Formula
C20H32O
SMILES
CC1=C(C2(CCCC(C2CC1)(C)C)C)CCC(=CC=O)C
InChI
InChI=1S/C20H32O/c1-15(11-14-21)7-9-17-16(2)8-10-18-19(3,4)12-6-13-20(17,18)5/h11,14,18H,6-10,12-13H2,1-5H3
InChIKey
MXYNLAVXJVCXNM-UHFFFAOYSA-N
Compound name
5-(2,5,5,8a-tetramethyl-3,4,4a,6,7,8-hexahydronaphthalen-1-yl)-3-methylpent-2-enal
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

288.24533 Da
Monoisotopic Mass

5.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 289.252606 171.4
[M+Na]+ 311.234548 176.6
[M-H]- 287.238054 174.6
[M+NH4]+ 306.279153 192.5
[M+K]+ 327.208488 172.4
[M+H-H2O]+ 271.242590 166.1
[M+HCOO]- 333.243531 185.8
[M+CH3COO]- 347.259181 206.5
[M+Na-2H]- 309.219996 172.1
[M]+ 288.24478142 169.3
[M]- 288.24587858 169.3
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.