CID 369184

135191-75-2

Structural Information

Molecular Formula

C₁₀H₁₀O₂

SMILES

C(C(=O)O)C12C3C4C1C5C4C3C25

InChI

InChI=1S/C10H10O2/c11-2(12)1-10-7-4-3-5(7)9(10)6(3)8(4)10/h3-9H,1H2,(H,11,12)

InChIKey

GUEONBQYTUWHRR-UHFFFAOYSA-N

Compound name

2-cuban-1-ylacetic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 3
Patents: 162.06808 Da
Monoisotopic Mass: 0.5
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]+	163.07536	203.3
[M+Na]+	185.05730	203.6
[M-H]-	161.06080	206.9
[M+NH4]+	180.10190	199.0
[M+K]+	201.03124	208.0
[M+H-H2O]+	145.06534	191.2
[M+HCOO]-	207.06628	204.9
[M+CH3COO]-	221.08193	259.2
[M+Na-2H]-	183.04275	198.0
[M]+	162.06753	222.8
[M]-	162.06863	222.8

Literature stripe

literature stripe

Patent stripe

patents stripe