CID 85861298

Teresantalal

Structural Information

Molecular Formula

C₁₀H₁₄O

SMILES

CC1(C2CC3C1(C3C2)C)C=O

InChI

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

InChIKey

LALMNAMACHKPDG-UHFFFAOYSA-N

Compound name

2,3-dimethyltricyclo[2.2.1.02,6]heptane-3-carbaldehyde

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 6
Patents: 150.10446 Da
Monoisotopic Mass: 1.9
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]+	151.11174	130.0
[M+Na]+	173.09368	140.3
[M+NH4]+	168.13828	144.3
[M+K]+	189.06762	137.1
[M-H]-	149.09718	136.0
[M+Na-2H]-	171.07913	133.5
[M]+	150.10391	134.6
[M]-	150.10501	134.6

Literature stripe

literature stripe

Patent stripe

patents stripe