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

3
Annotation Hits: 4
References: 121
Patents: 218.16707 Da
Monoisotopic Mass: 3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	219.17435	153.3
[M+Na]+	241.15629	159.6
[M-H]-	217.15979	157.2
[M+NH4]+	236.20089	175.2
[M+K]+	257.13023	155.9
[M+H-H2O]+	201.16433	148.2
[M+HCOO]-	263.16527	171.7
[M+CH3COO]-	277.18092	191.8
[M+Na-2H]-	239.14174	152.8
[M]+	218.16652	150.9
[M]-	218.16762	150.9

Literature stripe

literature stripe

Patent stripe

patents stripe