CID 6438291

4-tricyclodecylidene butanal

Structural Information

Molecular Formula

C₁₄H₂₀O

SMILES

C1CC2C(C1)C\3CC2C/C3=C\CCC=O

InChI

InChI=1S/C14H20O/c15-7-2-1-4-10-8-11-9-14(10)13-6-3-5-12(11)13/h4,7,11-14H,1-3,5-6,8-9H2/b10-4+

InChIKey

WFEISWUNAJPLRX-ONNFQVAWSA-N

Compound name

(4E)-4-(8-tricyclo[5.2.1.02,6]decanylidene)butanal

Related CIDs

2D Structure

compound 2d structure

4
Annotation Hits: 0
References: 2112
Patents: 204.15141 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]+	205.158686	154.3
[M+Na]+	227.140628	160.6
[M-H]-	203.144134	157.5
[M+NH4]+	222.185233	181.1
[M+K]+	243.114568	156.5
[M+H-H2O]+	187.148670	150.5
[M+HCOO]-	249.149611	173.4
[M+CH3COO]-	263.165261	187.2
[M+Na-2H]-	225.126076	153.5
[M]+	204.15086142	152.5
[M]-	204.15195858	152.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe