CID 22325

Schembl868191

Structural Information

Molecular Formula

C₁₀H₁₆

SMILES

C1CCC23CCC2(C3)CC1

InChI

InChI=1S/C10H16/c1-2-4-9-6-7-10(9,8-9)5-3-1/h1-8H2

InChIKey

DDCQWXFUMQDQQI-UHFFFAOYSA-N

Compound name

tricyclo[5.2.1.01,7]decane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 14
Patents: 136.1252 Da
Monoisotopic Mass: 4.1
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]+	137.132476	127.2
[M+Na]+	159.114418	132.3
[M-H]-	135.117924	135.4
[M+NH4]+	154.159023	141.3
[M+K]+	175.088358	135.4
[M+H-H2O]+	119.122460	120.3
[M+HCOO]-	181.123401	144.9
[M+CH3COO]-	195.139051	139.4
[M+Na-2H]-	157.099866	135.5
[M]+	136.12465142	131.2
[M]-	136.12574858	131.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe