CID 22246623

153200-64-7

Structural Information

Molecular Formula

C₁₂H₁₄O₃

SMILES

COC1=C(C=C(C=C1)C=O)OCC2CC2

InChI

InChI=1S/C12H14O3/c1-14-11-5-4-10(7-13)6-12(11)15-8-9-2-3-9/h4-7,9H,2-3,8H2,1H3

InChIKey

GRDGKQILTBTXSJ-UHFFFAOYSA-N

Compound name

3-(cyclopropylmethoxy)-4-methoxybenzaldehyde

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 108
Patents: 206.0943 Da
Monoisotopic Mass: 2.0
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]+	207.101576	143.6
[M+Na]+	229.083518	153.6
[M-H]-	205.087024	151.5
[M+NH4]+	224.128123	158.1
[M+K]+	245.057458	150.9
[M+H-H2O]+	189.091560	136.8
[M+HCOO]-	251.092501	168.4
[M+CH3COO]-	265.108151	189.4
[M+Na-2H]-	227.068966	149.3
[M]+	206.09375142	150.0
[M]-	206.09484858	150.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe