CID 10421549

Dehydrocurdione

Structural Information

Molecular Formula

C₁₅H₂₂O₂

SMILES

C[C@H]1CC/C=C(/CC(=O)C(=C(C)C)CC1=O)\C

InChI

InChI=1S/C15H22O2/c1-10(2)13-9-14(16)12(4)7-5-6-11(3)8-15(13)17/h6,12H,5,7-9H2,1-4H3/b11-6+/t12-/m0/s1

InChIKey

ZYPUZCWWTYIGFV-BCMYLCSRSA-N

Compound name

(6E,10S)-6,10-dimethyl-3-propan-2-ylidenecyclodec-6-ene-1,4-dione

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 5
References: 42
Patents: 234.16199 Da
Monoisotopic Mass: 2.8
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]+	235.169266	150.4
[M+Na]+	257.151208	157.2
[M-H]-	233.154714	151.6
[M+NH4]+	252.195813	166.6
[M+K]+	273.125148	155.3
[M+H-H2O]+	217.159250	148.5
[M+HCOO]-	279.160191	168.5
[M+CH3COO]-	293.175841	190.7
[M+Na-2H]-	255.136656	148.9
[M]+	234.16144142	145.6
[M]-	234.16253858	145.6

Literature stripe

literature stripe

Patent stripe

patents stripe