CID 170024

38284-42-3

Structural Information

Molecular Formula

C₁₁H₁₄O

SMILES

CC(=CC1CC2CC1C=C2)C=O

InChI

InChI=1S/C11H14O/c1-8(7-12)4-11-6-9-2-3-10(11)5-9/h2-4,7,9-11H,5-6H2,1H3

InChIKey

CVCVVXNCGPBRSF-UHFFFAOYSA-N

Compound name

3-(2-bicyclo[2.2.1]hept-5-enyl)-2-methylprop-2-enal

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 4
Patents: 162.10446 Da
Monoisotopic Mass: 2.2
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]+	163.11174	139.3
[M+Na]+	185.09368	146.7
[M-H]-	161.09718	142.1
[M+NH4]+	180.13828	165.2
[M+K]+	201.06762	144.0
[M+H-H2O]+	145.10172	135.1
[M+HCOO]-	207.10266	160.9
[M+CH3COO]-	221.11831	178.8
[M+Na-2H]-	183.07913	141.6
[M]+	162.10391	138.8
[M]-	162.10501	138.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe