CID 10704063

4(15),7(11)-oppositadien-12-al

Structural Information

Molecular Formula
C15H22O
SMILES
C/C(=C\[C@@H]1CC[C@]2([C@H]1C(=C)CCC2)C)/C=O
InChI
InChI=1S/C15H22O/c1-11(10-16)9-13-6-8-15(3)7-4-5-12(2)14(13)15/h9-10,13-14H,2,4-8H2,1,3H3/b11-9+/t13-,14-,15-/m0/s1
InChIKey
DNBAZHCMMBVLFT-SNSYNLEUSA-N
Compound name
(E)-3-[(1S,3aS,7aR)-3a-methyl-7-methylidene-2,3,4,5,6,7a-hexahydro-1H-inden-1-yl]-2-methylprop-2-enal
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

218.16707 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 219.17435 153.7
[M+Na]+ 241.15629 159.3
[M-H]- 217.15979 157.1
[M+NH4]+ 236.20089 177.1
[M+K]+ 257.13023 155.3
[M+H-H2O]+ 201.16433 149.1
[M+HCOO]- 263.16527 170.8
[M+CH3COO]- 277.18092 189.7
[M+Na-2H]- 239.14174 154.0
[M]+ 218.16652 149.0
[M]- 218.16762 149.0
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.