CID 87384853

4-(2-methoxyethyl)benzaldehyde

Structural Information

Molecular Formula
C10H12O2
SMILES
COCCC1=CC=C(C=C1)C=O
InChI
InChI=1S/C10H12O2/c1-12-7-6-9-2-4-10(8-11)5-3-9/h2-5,8H,6-7H2,1H3
InChIKey
UNRAHHXUPWIPMD-UHFFFAOYSA-N
Compound name
4-(2-methoxyethyl)benzaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

164.08372 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 165.090996 132.8
[M+Na]+ 187.072938 141.0
[M-H]- 163.076444 136.6
[M+NH4]+ 182.117543 153.8
[M+K]+ 203.046878 139.4
[M+H-H2O]+ 147.080980 127.2
[M+HCOO]- 209.081921 157.8
[M+CH3COO]- 223.097571 178.7
[M+Na-2H]- 185.058386 139.9
[M]+ 164.08317142 135.7
[M]- 164.08426858 135.7
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