CID 47002460

3-(3-methoxypropoxy)benzaldehyde

Structural Information

Molecular Formula
C11H14O3
SMILES
COCCCOC1=CC=CC(=C1)C=O
InChI
InChI=1S/C11H14O3/c1-13-6-3-7-14-11-5-2-4-10(8-11)9-12/h2,4-5,8-9H,3,6-7H2,1H3
InChIKey
FBINSGQXGIWVAH-UHFFFAOYSA-N
Compound name
3-(3-methoxypropoxy)benzaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

79
Patents

194.0943 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 195.10158 140.7
[M+Na]+ 217.08352 148.4
[M-H]- 193.08702 144.3
[M+NH4]+ 212.12812 160.3
[M+K]+ 233.05746 147.0
[M+H-H2O]+ 177.09156 134.5
[M+HCOO]- 239.09250 165.5
[M+CH3COO]- 253.10815 183.7
[M+Na-2H]- 215.06897 147.2
[M]+ 194.09375 145.4
[M]- 194.09485 145.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe