CID 72221098

3-cyclopropoxy-4-methoxybenzaldehyde

Structural Information

Molecular Formula
C11H12O3
SMILES
COC1=C(C=C(C=C1)C=O)OC2CC2
InChI
InChI=1S/C11H12O3/c1-13-10-5-2-8(7-12)6-11(10)14-9-3-4-9/h2,5-7,9H,3-4H2,1H3
InChIKey
NUPJLUSVFMBCOM-UHFFFAOYSA-N
Compound name
3-cyclopropyloxy-4-methoxybenzaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

12
Patents

192.07864 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 193.085916 139.3
[M+Na]+ 215.067858 149.7
[M-H]- 191.071364 147.4
[M+NH4]+ 210.112463 154.4
[M+K]+ 231.041798 147.3
[M+H-H2O]+ 175.075900 132.7
[M+HCOO]- 237.076841 164.4
[M+CH3COO]- 251.092491 186.5
[M+Na-2H]- 213.053306 145.5
[M]+ 192.07809142 145.3
[M]- 192.07918858 145.3
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