CID 11369677

All-trans-13,14-dral

Structural Information

Molecular Formula
C20H30O
SMILES
CC1=C(C(CCC1)(C)C)/C=C/C(=C/C=C/C(C)CC=O)/C
InChI
InChI=1S/C20H30O/c1-16(8-6-9-17(2)13-15-21)11-12-19-18(3)10-7-14-20(19,4)5/h6,8-9,11-12,15,17H,7,10,13-14H2,1-5H3/b9-6+,12-11+,16-8+
InChIKey
YBLASMZMTCDCLQ-HRYGCDPOSA-N
Compound name
(4E,6E,8E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-4,6,8-trienal
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

18
Patents

286.22968 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 287.23696 171.9
[M+Na]+ 309.21890 176.3
[M-H]- 285.22240 174.2
[M+NH4]+ 304.26350 190.0
[M+K]+ 325.19284 171.6
[M+H-H2O]+ 269.22694 166.5
[M+HCOO]- 331.22788 189.0
[M+CH3COO]- 345.24353 205.3
[M+Na-2H]- 307.20435 170.0
[M]+ 286.22913 171.2
[M]- 286.23023 171.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe