CID 12444654

Schembl2167920

Structural Information

Molecular Formula
C15H22O
SMILES
CC1CCC(C2=C(CCC12)C)/C=C(\C)/C=O
InChI
InChI=1S/C15H22O/c1-10(9-16)8-13-6-4-11(2)14-7-5-12(3)15(13)14/h8-9,11,13-14H,4-7H2,1-3H3/b10-8+
InChIKey
RJZWGDPBGWGJNU-CSKARUKUSA-N
Compound name
(E)-3-(3,7-dimethyl-2,4,5,6,7,7a-hexahydro-1H-inden-4-yl)-2-methylprop-2-enal
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

7
Patents

218.16707 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 219.17435 153.4
[M+Na]+ 241.15629 163.8
[M+NH4]+ 236.20089 162.3
[M+K]+ 257.13023 158.3
[M-H]- 217.15979 155.3
[M+Na-2H]- 239.14174 155.8
[M]+ 218.16652 155.2
[M]- 218.16762 155.2
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