CID 72221093

2-cyclopropoxybenzaldehyde

Structural Information

Molecular Formula

C₁₀H₁₀O₂

SMILES

C1CC1OC2=CC=CC=C2C=O

InChI

InChI=1S/C10H10O2/c11-7-8-3-1-2-4-10(8)12-9-5-6-9/h1-4,7,9H,5-6H2

InChIKey

PGUSPUZMIIACHQ-UHFFFAOYSA-N

Compound name

2-cyclopropyloxybenzaldehyde

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 43
Patents: 162.06808 Da
Monoisotopic Mass: 2.3
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	131.7
[M+Na]+	185.05730	141.7
[M-H]-	161.06080	139.6
[M+NH4]+	180.10190	147.7
[M+K]+	201.03124	139.3
[M+H-H2O]+	145.06534	125.2
[M+HCOO]-	207.06628	157.0
[M+CH3COO]-	221.08193	180.6
[M+Na-2H]-	183.04275	139.2
[M]+	162.06753	135.5
[M]-	162.06863	135.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe