CID 556516

247911-68-8

Structural Information

Molecular Formula

C₁₀H₁₄O

SMILES

CC1(C2C1C=C(CC2)C=O)C

InChI

InChI=1S/C10H14O/c1-10(2)8-4-3-7(6-11)5-9(8)10/h5-6,8-9H,3-4H2,1-2H3

InChIKey

RAHRTJHAYXOITA-UHFFFAOYSA-N

Compound name

7,7-dimethylbicyclo[4.1.0]hept-2-ene-3-carbaldehyde

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 16
Patents: 150.10446 Da
Monoisotopic Mass: 2.1
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]+	151.111736	133.0
[M+Na]+	173.093678	143.7
[M-H]-	149.097184	138.9
[M+NH4]+	168.138283	152.9
[M+K]+	189.067618	141.5
[M+H-H2O]+	133.101720	128.4
[M+HCOO]-	195.102661	154.3
[M+CH3COO]-	209.118311	181.5
[M+Na-2H]-	171.079126	140.3
[M]+	150.10391142	136.1
[M]-	150.10500858	136.1

Literature stripe

literature stripe

Patent stripe

patents stripe