CID 11094990

(3-hydroxyphenyl)methyl acetate

Structural Information

Molecular Formula
C9H10O3
SMILES
CC(=O)OCC1=CC(=CC=C1)O
InChI
InChI=1S/C9H10O3/c1-7(10)12-6-8-3-2-4-9(11)5-8/h2-5,11H,6H2,1H3
InChIKey
OUIXENXOUKVZBO-UHFFFAOYSA-N
Compound name
(3-hydroxyphenyl)methyl acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

51
Patents

166.06299 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 167.07027 132.5
[M+Na]+ 189.05221 140.5
[M-H]- 165.05571 135.2
[M+NH4]+ 184.09681 152.6
[M+K]+ 205.02615 139.2
[M+H-H2O]+ 149.06025 127.2
[M+HCOO]- 211.06119 155.5
[M+CH3COO]- 225.07684 175.2
[M+Na-2H]- 187.03766 138.4
[M]+ 166.06244 133.9
[M]- 166.06354 133.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe