CID 3691284

1-(benzyloxy)propan-2-one

Structural Information

Molecular Formula
C10H12O2
SMILES
CC(=O)COCC1=CC=CC=C1
InChI
InChI=1S/C10H12O2/c1-9(11)7-12-8-10-5-3-2-4-6-10/h2-6H,7-8H2,1H3
InChIKey
YHMRKVGUSQWDGZ-UHFFFAOYSA-N
Compound name
1-phenylmethoxypropan-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

336
Patents

164.08372 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 165.09100 134.0
[M+Na]+ 187.07294 141.0
[M-H]- 163.07644 137.5
[M+NH4]+ 182.11754 154.5
[M+K]+ 203.04688 139.8
[M+H-H2O]+ 147.08098 128.1
[M+HCOO]- 209.08192 157.9
[M+CH3COO]- 223.09757 178.4
[M+Na-2H]- 185.05839 140.5
[M]+ 164.08317 135.8
[M]- 164.08427 135.8
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.