CID 10888261

3-(benzyloxy)propanal

Structural Information

Molecular Formula
C10H12O2
SMILES
C1=CC=C(C=C1)COCCC=O
InChI
InChI=1S/C10H12O2/c11-7-4-8-12-9-10-5-2-1-3-6-10/h1-3,5-7H,4,8-9H2
InChIKey
ANSYAMHYCYOWAW-UHFFFAOYSA-N
Compound name
3-phenylmethoxypropanal
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

996
Patents

164.08372 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 165.09100 133.5
[M+Na]+ 187.07294 140.8
[M-H]- 163.07644 137.0
[M+NH4]+ 182.11754 154.1
[M+K]+ 203.04688 139.2
[M+H-H2O]+ 147.08098 127.6
[M+HCOO]- 209.08192 158.5
[M+CH3COO]- 223.09757 177.6
[M+Na-2H]- 185.05839 141.3
[M]+ 164.08317 136.0
[M]- 164.08427 136.0
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

No patent data available for this compound.